SCHEMBL10164586

SCHEMBL10164586

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(N3CCN(Cc4ccccc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 3/20 0.36
CHRM4 P08173 2/20 0.36
MCHR1 Q99705 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 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
SCHEMBL10164521 0.92 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1TRPA1KDM4E
SCHEMBL10164625 0.91 ALDH1A1 (0.36) LMNAALDH1A1TRPA1MEN1KMT2A
SCHEMBL10164564 0.89 THRB (0.38) LMNAMAPK1TRPA1MEN1KMT2A
SCHEMBL10164576 0.88 L3MBTL1 (0.45) LMNASMN1; SMN2MAPK1ALDH1A1TRPA1
SCHEMBL10164566 0.87 TRPA1 (0.41) LMNAALDH1A1TRPA1MCHR1KDM4E
SCHEMBL10164500 0.86 VCP (0.39) LMNAALDH1A1TRPA1MEN1KMT2A
SCHEMBL893330 0.86 TRPA1 (0.39) LMNAALDH1A1TRPA1CHRM4
SCHEMBL894189 0.85 HIF1A (0.40) SMN1; SMN2TRPA1CHRM4KDM4EMAPT
SCHEMBL10164606 0.85 LMNA (0.40) LMNASMN1; SMN2MAPK1ALDH1A1TRPA1
SCHEMBL894255 0.84 TRPA1 (0.39) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 LMNA 4619/4885SMN1; SMN2 2836/4885MAPK1 1950/4885

“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.