SCHEMBL940219

SCHEMBL940219

O=C(O)c1cccc2nc(CNCS(=O)(=O)c3ccc(OC(F)(F)F)cc3Cl)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.40
RUNX1 Q01196 1/20 0.38
DDR1 Q08345 3/20 0.38
KDM5A P29375 3/20 0.38
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 3/20 0.37
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
MMP13 P45452 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL940220 0.81 DHODH (0.40) DHODHRUNX1KDM5AKDM4AKDM4C
SCHEMBL940058 0.79 KDM5A (0.37) KDM5AKDM4AKDM4CKDM5B
SCHEMBL939201 0.76 CNR2 (0.38) DHODHDDR1KDM4ECNR2TRPM8
SCHEMBL938974 0.75 KDM5A (0.34) DHODHKDM5AKDM4AKDM4CKDM4E
SCHEMBL941263 0.73 KDM4C (0.39) DHODHKDM5AKDM4AKDM4CKDM4E
SCHEMBL940188 0.73 CLCN2 (0.38) KDM5AKDM4AKDM4CKDM5BAKR1C2
SCHEMBL11947897 0.71 DYRK1A (0.41) KDM5AKDM4AKDM4CCNR2EGLN1
SCHEMBL937934 0.69 ALDH1A1 (0.40) KDM5AKDM4CKDM4EKDM5B
SCHEMBL505489 0.68 DHODH (0.57) DHODHRUNX1KDM4CAKR1C2AKR1C1
SCHEMBL505208 0.67 DHODH (0.70) DHODHRUNX1

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 DHODH 3459/4885RUNX1 1495/4885DDR1 866/4885

“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.