SCHEMBL939700

SCHEMBL939700

O=C(CNCc1nc2cccc(C(=O)O)c2[nH]1)c1sccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
FPR1 P21462 1/20 0.35
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
PRSS12 P56730 1/20 0.34
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
SLC40A1 Q9NP59 5/20 0.33
PIM1 P11309 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL937934 0.84 ALDH1A1 (0.40) CDK9DYRK1ATSHRSLC40A1MEN1
SCHEMBL939655 0.80 ALDH1A1 (0.41) CASP3SENP8SENP7SENP6PRSS12
SCHEMBL939701 0.79 RXFP1 (0.38) CASP3SENP8SENP7SENP6FPR1
SCHEMBL938392 0.74 KDM4C (0.40) TSHRMAPK10SMN1; SMN2PKMMEN1
SCHEMBL938849 0.71 RAB9A (0.38) CASP3SENP8SENP7SENP6FPR1
SCHEMBL938974 0.70 KDM5A (0.34) CDK9DYRK1ASLC40A1MEN1KMT2A
SCHEMBL9589018 0.69 KDM5B (0.47) SMN1; SMN2PIM1KDM4ERAB9AKDM5A
SCHEMBL940188 0.69 CLCN2 (0.38) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL940058 0.69 KDM5A (0.37) MEN1KMT2APOLBKDM5AKDM4C
SCHEMBL7722688 0.68 TNKS2 (0.50) KDM4ERAB9AKDM5AKDM4CKDM5B

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 5 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
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO 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 CASP3 1660/4885SENP8 2098/4885SENP7 2698/4885

“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.