SCHEMBL413683

SCHEMBL413683

CNc1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 4/20 0.50
HTT P42858 4/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR9 Q9NR96 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
GALR2 O43603 1/20 0.38

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
SCHEMBL2767459 0.85 MAPT (0.51) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL30542027 0.85 MAPT (0.51) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL12877828 0.84 LMNA (0.46) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL31210860 0.84 LMNA (0.46) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL23530034 0.83 NR4A2 (0.43) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5843301 0.79 HCAR3 (0.41) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5827758 0.79 MAPT (0.41) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1625178 0.79 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL563664 0.79 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29672031 0.79 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
CN-102325765-B Substituted bicyclic heterocyclic compounds as gamma-secretase modulators JANSSEN PHARMACEUTICALS INC 2014-12-24 CN disclosed
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
CN-102341388-B Substituted benzazoles, benzimidazoles, azolopyridines and imidazopyridine derivatives as gamma secretase modulators JANSSEN PHARMACEUTICALS INC 2014-05-07 CN disclosed
EP-2393804-B1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-16 EP disclosed
EP-2398793-B1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 US disclosed
CN-102325765-A Novel substituted bicyclic heterocyclic compounds as gamma secretase modulators ORTHO MCNEIL JANSSEN PHARM 2012-01-18 CN disclosed
EP-2398793-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 US disclosed
WO-2010094647-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-26 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 2969/4885LMNA 1185/4885SMN1; SMN2 2853/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A MAPT 2969/4885LMNA 1185/4885SMN1; SMN2 2853/4885
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP MAPT 1724/4885LMNA 1047/4885SMN1; SMN2 2060/4885

“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.