SCHEMBL939707

SCHEMBL939707

COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3cccc4ccccc34)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.41
C1R P00736 1/20 0.41
NPY5R Q15761 2/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
USP2 O75604 2/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 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
SCHEMBL940167 0.89 C1R (0.45) PRSS1C1RNPY5RKDM4EHSD17B10
SCHEMBL938412 0.86 BDKRB1 (0.38) KDM4EHSD17B10USP2ALDH1A1TSHR
SCHEMBL11947875 0.81 BDKRB1 (0.40) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL939207 0.81 MAPT (0.47) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL937980 0.80 BDKRB1 (0.38) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL937728 0.79 KDM4E (0.35) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL939201 0.78 CNR2 (0.38) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL938966 0.77 PTGS2 (0.38) KDM4EHSD17B10ALDH1A1LMNAMAPT
SCHEMBL11947920 0.75 LMNA (0.37) NPY5RALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL939071 0.75 CYP2C9 (0.42) USP2ALDH1A1LMNAHPGDTSHR

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 7 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
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

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 PRSS1 207/4885C1R 720/4885NPY5R 312/4885

“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.