SCHEMBL1919503

SCHEMBL1919503

COc1ccc([N+](=O)[O-])cc1OCc1c(Br)ccc2c1N(C)C(=O)C(C)(C)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.49
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.36
CCR5 P51681 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 1/20 0.35
PTGS2 P35354 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL1919238 0.90 IL6 (0.51) IL6MAPTSMN1; SMN2ALDH1A1GFER
SCHEMBL1918678 0.85 IL6 (0.62) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4126999 0.84 IL6 (0.65) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1917680 0.82 IL6 (0.55) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL447259 0.81 IL6 (0.52) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1918683 0.79 IL6 (0.52) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL449855 0.79 IL6 (0.54) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4581835 0.79 IL6 (0.65) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1917783 0.79 IL6 (0.53) IL6MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8765654 0.78 IL6 (0.69) IL6MAPTSMN1; SMN2KDM4EALDH1A1

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 24 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 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-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-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
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 disclosed
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 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-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
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
WO-2010029986-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT 参天製薬株式会社 (JP) 2010-03-18 WO 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
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 (3 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-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 23/4885MAPT 4727/4885SMN1; SMN2 2795/4885
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 1109/4885MAPT 4849/4885SMN1; SMN2 4260/4885
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 1624/4885MAPT 4806/4885SMN1; SMN2 4707/4885

“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.