SCHEMBL1193246

SCHEMBL1193246

N#CC(S)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.40
TSHR P16473 1/20 0.40
ACP3 P15309 2/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
MMP3 P08254 1/20 0.36
BCL2L1 Q07817 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
SCHEMBL4592906 0.86 TSHR (0.52) TRPA1TSHRALDH1A1
SCHEMBL11675463 0.77 CHRNB2 (0.45) CHRNB2CHRNA4CYP3A4TAAR1HSD17B10
SCHEMBL1193245 0.74 CHRNB2 (0.42) CHRNB2CHRNA4CYP3A4TAAR1HSD17B10
SCHEMBL954845 0.74 PTGS2 (0.48) CHRNB2CHRNA4TRPA1TSHRACP3
SCHEMBL29261466 0.74 CHRNB2 (0.42) CHRNB2CHRNA4CYP3A4TAAR1HSD17B10
SCHEMBL8019014 0.74 TSHR (0.75) CHRNB2CHRNA4CYP3A4TRPA1TSHR
SCHEMBL8018943 0.73 ALDH1A1 (0.42) TDP1ALDH1A1
SCHEMBL7952407 0.73 LMNA (0.46) TDP1ALDH1A1
SCHEMBL4559442 0.71 PTGS2 (0.46) CHRNB2CHRNA4TRPA1TSHRACP3
SCHEMBL11878426 0.71 PTGS2 (0.46) CHRNB2CHRNA4TRPA1TSHRACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622580-B Benzimidazole as prolyl hydroxylase inhibitors 詹森药业有限公司 2019-06-21 CN claimed
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-08-02 US claimed
US-20180022733-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-25 US claimed
CN-105622580-A Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV 2016-06-01 CN claimed
CN-102076680-B Benzimidazoles as Prolyl Hydroxylase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-02 CN claimed
US-9073923-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US claimed
EP-2294066-B9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-11 EP claimed
US-8865713-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US claimed
US-20140256722-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 US claimed
EP-2294066-B1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 EP claimed
US-20140005193-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-01-02 US claimed
US-20110046132-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-24 US claimed
US-20160015786-A1 MOBILIZING AGENTS AND USES THEREFOR MATER MEDICAL RESEARCH INSTITUTE LIMITED (AU) 2016-01-21 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 (6 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-20110046132-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 CHRNB2 4844/4885CHRNA4 4804/4885CYP3A4 104/4885
US-20180022733-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 CHRNB2 4839/4885CHRNA4 4811/4885CYP3A4 115/4885
US-20140005193-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 CHRNB2 4839/4885CHRNA4 4811/4885CYP3A4 115/4885
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 CHRNB2 4839/4885CHRNA4 4811/4885CYP3A4 115/4885
US-20140256722-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 CHRNB2 4839/4885CHRNA4 4811/4885CYP3A4 115/4885
US-20160015786-A1 MOBILIZING AGENTS AND USES THEREFOR HIF1AN, CXCL12, HIF1A CHRNB2 4556/4885CHRNA4 4624/4885CYP3A4 4752/4885

“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.