SCHEMBL939474

SCHEMBL939474

COC(=O)c1cccc2[nH]c(CN(C)C(=O)OC(C)(C)C)nc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.53
CACNA1B Q00975 1/20 0.53
CACNA1C Q13936 1/20 0.53
RIPK1 Q13546 2/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
PARP1 P09874 14/20 0.41
CRBN Q96SW2 1/20 0.38
CACNA1H O95180 1/20 0.36

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
SCHEMBL6943657 0.84 CACNA1G (0.57) CACNA1GCACNA1BCACNA1CPARP1CACNA1H
SCHEMBL11947879 0.83 CACNA1G (0.44) CACNA1GCACNA1BCACNA1CRIPK1PKN1
SCHEMBL16186544 0.83 CACNA1G (0.56) CACNA1GCACNA1BCACNA1CPARP1CACNA1H
SCHEMBL15808861 0.83 CACNA1B (0.57) CACNA1GCACNA1BCACNA1CRIPK1CACNA1H
SCHEMBL16186531 0.82 CACNA1B (0.73) CACNA1GCACNA1BCACNA1CPARP1CACNA1H
SCHEMBL8324888 0.80 CACNA1G (0.53) CACNA1GCACNA1BCACNA1CPKN1PKN2
SCHEMBL15808970 0.80 CACNA1B (0.53) CACNA1GCACNA1BCACNA1CCACNA1H
SCHEMBL15917113 0.79 PTGES (0.62) CACNA1GCACNA1BCACNA1C
SCHEMBL6946091 0.78 TDP1 (0.56) CACNA1GCACNA1BCACNA1C
SCHEMBL30689200 0.78 TDP1 (0.56) CACNA1GCACNA1BCACNA1C

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 9 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 disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 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 (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 CACNA1G 533/4885CACNA1B 1089/4885CACNA1C 1254/4885

“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.