SCHEMBL938871

SCHEMBL938871

COC(=O)c1cccc2nc(CNC(=O)OC(C)(C)C)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
KDM4A O75164 1/20 0.40
ATR Q13535 1/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNA5 P22460 1/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL3518208 0.86 BCHE (0.42) BCHECACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL937977 0.82 PKM (0.48) RAB9AL3MBTL1HSD17B10TSHRMAPK10
SCHEMBL27185875 0.81 TNKS (0.48) L3MBTL1KCNA5GAACYP1A2KDM4E
SCHEMBL11947879 0.81 CACNA1G (0.44) BCHECACNA1BCACNA1CRAB9AL3MBTL1
SCHEMBL7002080 0.80 KDM4E (0.48) RAB9AL3MBTL1HSD17B10TSHRGAA
SCHEMBL7145208 0.80 BCHE (0.38) BCHERAB9AHSD17B10GAAKMT2A
SCHEMBL7721019 0.79 DDAH1 (0.44) L3MBTL1HSD17B10TSHRGAAKMT2A
SCHEMBL6297783 0.78 BCHE (0.65) BCHECACNA1HCACNA1BCACNA1CRAB9A
SCHEMBL14550634 0.78 BCHE (0.43) BCHECACNA1HCACNA1BCACNA1CKDM4A
SCHEMBL1917771 0.77 RIPK1 (0.44) L3MBTL1HSD17B10GAAKMT2AMEN1

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 4 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-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 BCHE 714/4885CACNA1H 967/4885CACNA1B 1089/4885

“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.