SCHEMBL447395

SCHEMBL447395

COc1ccc([N+](=O)[O-])cc1OCc1c(-c2ccc(OS(=O)(=O)C3CC3)cc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
CYP19A1 P11511 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NQO1 P15559 1/20 0.33
ACHE P22303 1/20 0.32
GFER P55789 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1918594 0.97 IL6 (0.48) IL6KMT2AMAPTMAPK1MEN1
SCHEMBL450857 0.94 IL6 (0.57) IL6KMT2AMAPTMAPK1MEN1
SCHEMBL1918141 0.92 IL6 (0.56) IL6KMT2AMAPTMAPK1MEN1
SCHEMBL447259 0.90 IL6 (0.52) IL6KMT2AMAPTMAPK1CYP19A1
SCHEMBL449855 0.88 IL6 (0.54) IL6KMT2AMAPTMAPK1CYP19A1
SCHEMBL1918683 0.88 IL6 (0.52) IL6KMT2AMAPTMAPK1CYP19A1
SCHEMBL1917783 0.88 IL6 (0.53) IL6KMT2AMAPTMAPK1CYP19A1
SCHEMBL1917680 0.87 IL6 (0.55) IL6KMT2AMAPTMAPK1MEN1
SCHEMBL446425 0.86 IL6 (0.50) IL6KMT2AMAPTMAPK1MEN1
SCHEMBL450069 0.85 IL6 (0.60) IL6KMT2AMAPTCYP19A1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US claimed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US claimed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US claimed
EP-2151436-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-24 EP claimed
US-8193187-B2 1,2,3,4-tetrahydroquinoxaline compound with a phenyl group substituent having a sulfonic acid ester structure or a sulfonic acid amide structure introduced therein and having glucocorticoid receptor-binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US claimed
US-20120129866-A1 METHODS FOR PREVENTING OR TREATING METABOLIC DISEASES, INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, ALLERGIC DISEASES, CENTRAL NERVOUS SYSTEM DISEASES, CARDIOVASCULAR DISEASES, HOMEOSTASIS-RELATED DISEASES OR GLAUCOMA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US claimed
US-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US claimed
EP-2327699-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-06-01 EP claimed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US claimed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 EP claimed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US disclosed
EP-2327699-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-06-01 EP disclosed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129866-A1 METHODS FOR PREVENTING OR TREATING METABOLIC DISEASES, INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, ALLERGIC DISEASES, CENTRAL NERVOUS SYSTEM DISEASES, CARDIOVASCULAR DISEASES, HOMEOSTASIS-RELATED DISEASES OR GLAUCOMA GPR39, ACOX1, ATXN2L IL6 1153/4885KMT2A 4106/4885MAPT 3192/4885
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT UACA, PKLR, CYSLTR1 IL6 23/4885KMT2A 3731/4885MAPT 4727/4885
US-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT NR3C1, GRK4, MC2R IL6 1109/4885KMT2A 2527/4885MAPT 4849/4885
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY NR3C2, NR3C1, NR5A1 IL6 1624/4885KMT2A 3623/4885MAPT 4806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.