SCHEMBL939655

SCHEMBL939655

O=C(CNCc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
F10 P00742 3/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
PRSS12 P56730 1/20 0.37
GSK3B P49841 1/20 0.36
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 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
SCHEMBL937934 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL939700 0.80 CASP3 (0.36) MEN1KMT2AKDM4ESMN1; SMN2CASP3
SCHEMBL939010 0.78 SMN1; SMN2 (0.39) ALDH1A1F10MEN1KMT2AKDM4E
SCHEMBL938392 0.73 KDM4C (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL939372 0.71 POLB (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9589018 0.70 KDM5B (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7722688 0.69 TNKS2 (0.50) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL938974 0.69 KDM5A (0.34) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6840239 0.68 KDM4C (0.54) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL940188 0.67 CLCN2 (0.38) ALDH1A1MEN1KMT2ALMNATDP1

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 ALDH1A1 1533/4885F10 1406/4885MEN1 864/4885

“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.