SCHEMBL6157976

SCHEMBL6157976

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
ALOX5AP P20292 4/20 0.43
PPARG P37231 1/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
HDAC1 Q13547 2/20 0.40
CNR2 P34972 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RAD52 P43351 1/20 0.40
F2 P00734 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 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
SCHEMBL8028137 0.89 CNR2 (0.48) NPC1GAARAB9ASMN1; SMN2PPARG
SCHEMBL6159720 0.83 ITK (0.46) NPC1GAARAB9ASMN1; SMN2BRD4
SCHEMBL6486632 0.81 F2 (0.50) NPC1GAARAB9ASMN1; SMN2BRD4
SCHEMBL6638588 0.81 GAA (0.44) NPC1GAARAB9ASMN1; SMN2BRD4
Hydrochloric Acid SCHEMBL7244675 0.80 F2 (0.49) NPC1GAARAB9ASMN1; SMN2BRD4
SCHEMBL7244672 0.80 F2 (0.47) NPC1GAARAB9ASMN1; SMN2BRD4
SCHEMBL6159759 0.80 KMT2A (0.58) NPC1RAB9ASMN1; SMN2CNR2KCNJ1
SCHEMBL7509579 0.80 NPC1 (0.48) NPC1GAARAB9ASMN1; SMN2BRD4
SCHEMBL6475543 0.78 KDM4E (0.48) NPC1RAB9ASMN1; SMN2NTRK1NTRK2
SCHEMBL6159112 0.78 NPC1 (0.41) NPC1GAARAB9ASMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237877-B1 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 EP disclosed
EP-1504041-A1 PROCESS FOR REDUCING RESIDUAL FREE RADICAL POLYMERIZABLE MONOMER CONTENT OF POLYMERS EASTMAN CHEMICAL COMPANY (US) 2005-02-09 EP disclosed
EP-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
WO-2003093328-A1 PROCESS FOR REDUCING RESIDUAL FREE RADICAL POLYMERIZABLE MONOMER CONTENT OF POLYMERS EASTMAN CHEMICAL COMPANY (US) 2003-11-13 WO disclosed
EP-1220845-B1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-08-13 EP disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US disclosed
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP disclosed
WO-2002062785-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
EP-1220845-A1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6413990-B1 ANTIINFLAMMATORY AGENTS, ANTIALLERGENS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 WO disclosed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed
WO-2001023359-A1 ARYL-SULFONAMIDE SUBSTITUTED BENZIMIDAZOL DERIVATIVES AND USE OF SAID AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed
US-6121308-A INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE BOEHRINGER INGELHEIM KG (DE) 2000-09-19 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 (1 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 NPC1 3133/4885GAA 25/4885RAB9A 2403/4885

“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.