SCHEMBL11955899

SCHEMBL11955899

COC(=O)c1cccc2[nH]c(CN(C)C(=O)c3ccc(Cl)s3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.46
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
MAPT P10636 4/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PTGES O14684 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CACNA1H O95180 2/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
PARP1 P09874 2/20 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
SCHEMBL939372 0.85 POLB (0.40) MAPTSMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL939474 0.76 CACNA1G (0.53) RIPK1PKN1PKN2CACNA1HCACNA1G
SCHEMBL939010 0.76 SMN1; SMN2 (0.39) MAPTHTTRAD52SMN1; SMN2POLB
SCHEMBL6841804 0.75 PKN1 (0.57) RIPK1PKN1PKN2MAPTSMN1; SMN2
SCHEMBL7478397 0.73 PKN1 (0.59) RIPK1PKN1PKN2MAPTSMN1; SMN2
SCHEMBL12730392 0.72 PKN1 (0.57) RIPK1PKN1PKN2PARP1
SCHEMBL15767242 0.72 PKN1 (0.57) RIPK1PKN1PKN2PTGES
SCHEMBL939723 0.71 RIPK1 (0.59) RIPK1PKN1PKN2MAPTSMN1; SMN2
SCHEMBL1917467 0.71 RIPK1 (0.62) RIPK1PKN1PKN2MAPTSMN1; SMN2
SCHEMBL2830150 0.71 PKN1 (0.61) RIPK1PKN1PKN2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RIPK1 1658/4885PKN1 430/4885PKN2 543/4885

“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.