SCHEMBL7450335

SCHEMBL7450335

c1ccc(C2CC(c3cccnc3)=NO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
PTPN1 P18031 3/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12922856 0.92 KDM4E (0.44) GAAPOLBCA12CA9KDM4E
SCHEMBL12922850 0.91 KDM4E (0.44) GAAPOLBPTPN1CA12CA9
SCHEMBL3969643 0.88 KDM4E (0.42) GAAPOLBCA12CA9KDM4E
SCHEMBL3974292 0.87 KDM4E (0.41) GAAPOLBCA12CA9KDM4E
SCHEMBL3974291 0.87 KDM4E (0.41) GAAPOLBPTPN1CA12CA9
SCHEMBL6939090 0.85 TSHR (0.51) PTPN1TSHRPPARGPPARAATM
SCHEMBL3968940 0.84 KDM4E (0.42) GAAPOLBCA12CA9KDM4E
SCHEMBL3969680 0.84 KDM4E (0.42) GAAPOLBCA12CA9KDM4E
SCHEMBL12922866 0.83 PTPN1 (0.47) PTPN1TSHRPPARGPPARAATM
SCHEMBL12922861 0.82 CYP2A6 (0.42) FAAHALDH1A1CYP3A4CYP2A6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759376-B2 Isoxazole and isothiazole compounds useful in the treatment of inflammation THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-06-24 US disclosed
US-20110015231-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION AL-ABED YOUSEF 2011-01-20 US disclosed
US-7807696-B2 Isoxazole and isothiazole compounds useful in the treatment of inflammation THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-05 US disclosed
WO-2010053162-A1 NON-AQUEOUS ELECTROLYSIS SOLUTION CONTAINING PYRIDYL 5-MEMBERED HETEROCYCLIC DERIVATIVE, AND LITHIUM SECONDARY BATTERY 三井化学株式会社 (JP) 2010-05-14 WO disclosed
US-20080075728-A1 Combination Therapies Of Hmgb And Complement Inhibitors Against Inflammation THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2008-03-27 US disclosed
US-20070021465-A1 Anti-inflammatory compounds FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH, THE 2007-01-25 US disclosed
US-5330994-A Antidepressants, anxiolytic agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
WO-1993019062-A1 TETRAHYDROPYRIDINE ISOXAZOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1993-09-30 WO 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-20080075728-A1 Combination Therapies Of Hmgb And Complement Inhibitors Against Inflammation HMGB2, HMGB1, HMGB3 GAA 2760/4885POLB 1288/4885PTPN1 2968/4885
US-20070021465-A1 Anti-inflammatory compounds IL6, IL1A, IL1B GAA 509/4885POLB 2344/4885PTPN1 3498/4885
US-20110015231-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION IL1A, IL1B, IL17A GAA 1723/4885POLB 3410/4885PTPN1 2012/4885

“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.