SCHEMBL493603

SCHEMBL493603

O=C(O)CNC(=O)c1nc(-c2cc(Cl)cc(Cl)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
SMPD1 P17405 2/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
GSK3B P49841 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL493476 0.87 FABP4 (0.48) KMT2AKDM4EMAPTSMN1; SMN2TSHR
SCHEMBL493785 0.82 CYP2C19 (0.41) KMT2AKDM4EMAPTSMN1; SMN2GSK3B
SCHEMBL493024 0.81 CYP2C19 (0.47) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL492888 0.80 SHMT1 (0.48) KMT2AKDM4EMAPTSMPD1SMN1; SMN2
SCHEMBL494418 0.79 TPMT (0.48) SMPD1TSHRTP53RXFP1
SCHEMBL493401 0.78 ALDH1A1 (0.42) KMT2APOLBSMN1; SMN2TSHRGSK3B
SCHEMBL493438 0.77 KMT2A (0.67) KMT2AKDM4EMAPTPOLB
SCHEMBL494155 0.75 SMN1; SMN2 (0.69) KMT2AKDM4EMAPTSMPD1GAA
SCHEMBL493052 0.75 KDM4E (0.73) KMT2AKDM4EMAPTGAASMN1; SMN2
SCHEMBL494360 0.75 TSHR (0.53) KMT2AKDM4EMAPTSMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD KMT2A 1749/4885KDM4E 2178/4885MAPT 1653/4885

“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.