SCHEMBL893875

SCHEMBL893875

O=C1c2ccccc2C(=O)N1c1cc(Cl)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
AR P10275 1/20 0.39
ALPL P05186 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL8155472 0.74 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL10637058 0.74 ALPL (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8607285 0.73 KMT2A (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL28396995 0.73 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3720990 0.72 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29411219 0.72 ALDH1A1 (0.51) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3641427 0.72 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29344067 0.72 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL501633 0.70 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL22028943 0.70 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1GAA

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
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 MEN1 4531/4885KMT2A 3371/4885KDM4E 4514/4885

“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.