SCHEMBL940058

SCHEMBL940058

Cc1cc(S(=O)(=O)CNCc2nc3cccc(C(=O)O)c3[nH]2)c(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
KDM4A O75164 1/20 0.37
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SOD1 P00441 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
ACLY P53396 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL938974 0.85 KDM5A (0.34) KDM5AKDM5BKDM4AKMT2AMEN1
SCHEMBL940188 0.83 CLCN2 (0.38) KDM5AKDM5BKDM4AKMT2AMEN1
SCHEMBL940059 0.80 KDM4A (0.37) KDM5AKDM5BKDM4AHSD17B1HSD17B2
SCHEMBL941263 0.79 KDM4C (0.39) KDM5AKDM5BKDM4AKMT2AMEN1
SCHEMBL940219 0.79 DHODH (0.40) KDM5AKDM5BKDM4AKDM4C
SCHEMBL937934 0.72 ALDH1A1 (0.40) KDM5AKDM5BKMT2AMEN1ALDH1A1
SCHEMBL11888786 0.71 CD38 (0.37)
SCHEMBL11888799 0.70 KDM4C (0.38) KDM5AKDM5BKDM4AALDH1A1HSD17B10
SCHEMBL938392 0.69 KDM4C (0.40) KDM5AKDM5BKDM4AKMT2AMEN1
SCHEMBL11888808 0.69 KDM4C (0.37) KDM5AKDM5BKDM4AKMT2AMEN1

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
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

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 KDM5A 2668/4885KDM5B 2301/4885KDM4A 2323/4885

“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.