SCHEMBL941263

SCHEMBL941263

COc1cc(C)c(S(=O)(=O)CNCc2nc3cccc(C(=O)O)c3[nH]2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.39
KDM5B Q9UGL1 4/20 0.39
KDM5A P29375 4/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4A O75164 1/20 0.36
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 3/20 0.33
APEX1 P27695 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11888786 0.92 CD38 (0.37) KDM4ESMN1; SMN2TSHRMAPK10RAB9A
SCHEMBL11888799 0.91 KDM4C (0.38) KDM4CKDM5BKDM5AKDM4EALDH1A1
SCHEMBL11888808 0.89 KDM4C (0.37) KDM4CKDM5BKDM5AKDM4EALDH1A1
SCHEMBL940180 0.85 ALDH1A1 (0.38) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL939861 0.83 LMNA (0.32) KDM4CKDM5BKDM5AALDH1A1MEN1
SCHEMBL938392 0.83 KDM4C (0.40) KDM4CKDM5BKDM5AKDM4EALDH1A1
SCHEMBL938974 0.83 KDM5A (0.34) KDM4CKDM5BKDM5AKDM4EALDH1A1
SCHEMBL941264 0.82 KDM4C (0.41) KDM4CKDM5BKDM5AKDM4EALDH1A1
SCHEMBL938620 0.81 KDM4C (0.38) KDM4CKDM5BKDM5AKDM4EALDH1A1
SCHEMBL940188 0.81 CLCN2 (0.38) KDM4CKDM5BKDM5AALDH1A1MEN1

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 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.