SCHEMBL92933

SCHEMBL92933

Cc1nc(C)c(-c2ccccc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.66
COMT P21964 10/20 0.60
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
TRPV4 Q9HBA0 1/20 0.49
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CDK4 P11802 1/20 0.47

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
SCHEMBL27697395 0.84 COMT (0.54) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL327670 0.83 ALOX5 (0.54) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL526264 0.81 PTGS2 (0.69) ALOX5COMTALDH1A1MEN1KMT2A
SCHEMBL2093272 0.81 ALDH1A1 (0.63) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL327353 0.80 RAB9A (0.51) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL1747883 0.79 ALDH1A1 (0.63) ALOX5NPC1RAB9AALDH1A1MEN1
SCHEMBL6800972 0.79 ALDH1A1 (0.54) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL11549532 0.79 ALDH1A1 (0.54) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL2091332 0.79 ALOX5 (0.61) ALOX5COMTNPC1RAB9AALDH1A1
SCHEMBL12943444 0.79 PTGS2 (0.53) ALOX5COMTNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20210095196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-04-01 US disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
EP-3115362-B1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2019-06-12 EP disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 US disclosed
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
WO-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed
US-7470710-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-30 US disclosed
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2008-12-25 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (10 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALOX5 3374/4885COMT 4721/4885NPC1 2404/4885
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALOX5 1153/4885COMT 461/4885NPC1 1186/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR ALOX5 1153/4885COMT 461/4885NPC1 1186/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALOX5 2338/4885COMT 4705/4885NPC1 3130/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ALOX5 3410/4885COMT 2494/4885NPC1 1460/4885
US-20210095196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, RO60, OSBP ALOX5 1067/4885COMT 991/4885NPC1 2361/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ALOX5 3410/4885COMT 2494/4885NPC1 1460/4885
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST HCRTR1, HCRTR2, OPRD1 ALOX5 2759/4885COMT 1293/4885NPC1 1353/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALOX5 3410/4885COMT 2494/4885NPC1 1460/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALOX5 3410/4885COMT 2494/4885NPC1 1460/4885

“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.