SCHEMBL941264

SCHEMBL941264

COc1cc(C)c(S(=O)(=O)N(C)Cc2nc3cccc(C(=O)O)c3[nH]2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM5A P29375 3/20 0.41
BDKRB1 P46663 7/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
STAT5B P51692 1/20 0.37
KDM4A O75164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11947899 0.93 KDM5B (0.38) KDM4CKDM5BKDM5ABDKRB1ALDH1A1
SCHEMBL11888800 0.92 BDKRB1 (0.40) KDM4CKDM5BKDM5ABDKRB1STAT5B
SCHEMBL11888787 0.91 BDKRB1 (0.38) BDKRB1ALDH1A1LMNATSHRNPC1
SCHEMBL937980 0.91 BDKRB1 (0.38) BDKRB1ALDH1A1LMNATSHRNPC1
SCHEMBL11888809 0.91 BDKRB1 (0.39) KDM4CKDM5BKDM5ABDKRB1
SCHEMBL938898 0.88 ALDH1A1 (0.47) KDM4CKDM5BKDM5ABDKRB1ALDH1A1
SCHEMBL939595 0.86 ALDH1A1 (0.38) BDKRB1ALDH1A1LMNATSHRNPC1
SCHEMBL938394 0.85 NPC1 (0.44) KDM4CKDM5BKDM5ANPC1RAB9A
SCHEMBL939297 0.85 ALDH1A1 (0.40) BDKRB1ALDH1A1LMNATSHRNPC1
SCHEMBL938977 0.84 C1R (0.36) KDM4CKDM5BKDM5AALDH1A1LMNA

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 KDM4C 3227/4885KDM5B 2301/4885KDM5A 2668/4885

“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.