SCHEMBL938301

SCHEMBL938301

CN(Cc1nc2cccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)c2[nH]1)C(=O)c1sccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.40
ITGA2B P08514 8/20 0.40
CYP2C9 P11712 8/20 0.40
CYP2C19 P33261 7/20 0.40
CYP3A4 P08684 7/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 6/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL939674 0.95 CYP3A4 (0.42) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL938493 0.89 CYP2C19 (0.42) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL939340 0.85 CYP2C9 (0.45) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL938398 0.83 CYP3A4 (0.46) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL940108 0.83 CYP2C9 (0.43) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL938894 0.81 ITGB3 (0.39) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL939902 0.80 ITGB3 (0.39) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL938797 0.79 CYP2D6 (0.48) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL939152 0.78 CYP3A4 (0.45) ITGB3ITGA2BCYP2C9CYP2C19CYP3A4
SCHEMBL939701 0.76 RXFP1 (0.38) MEN1KMT2AALDH1A1

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
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP claimed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US claimed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP claimed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US claimed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO claimed
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 ITGB3 3762/4885ITGA2B 4434/4885CYP2C9 362/4885

“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.