SCHEMBL1918261

SCHEMBL1918261

COc1ccccc1NCc1c(-c2ccc(OS(=O)(=O)C3CCCC3)cc2OC)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.45
KDM4E B2RXH2 2/20 0.34
APAF1 O14727 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
DRD2 P14416 4/20 0.33
BRD4 O60885 1/20 0.33
KMT2A Q03164 1/20 0.32
DRD3 P35462 4/20 0.32
DRD4 P21917 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FAAH O00519 1/20 0.31
PIK3CA P42336 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL447322 0.97 IL6 (0.46) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL6125461 0.90 IL6 (0.44) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL1917122 0.90 IL6 (0.55) IL6HRH3ALDH1A1
SCHEMBL451413 0.88 IL6 (0.48) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL449888 0.87 IL6 (0.56) IL6KMT2AALDH1A1
SCHEMBL1918029 0.86 IL6 (0.50) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL3119593 0.86 IL6 (0.47) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL1917384 0.85 IL6 (0.47) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL449645 0.85 IL6 (0.49) IL6KDM4EAPAF1MAPTRECQL
SCHEMBL4579924 0.84 IL6 (0.46) IL6KDM4EMAPTDRD2KMT2A

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 20 patents. 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-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-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
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-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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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

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 1153/4885KDM4E 4585/4885APAF1 4329/4885
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 23/4885KDM4E 2637/4885APAF1 4082/4885
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 1109/4885KDM4E 1830/4885APAF1 4767/4885
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 1624/4885KDM4E 4127/4885APAF1 4779/4885

“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.