SCHEMBL10164615

SCHEMBL10164615

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccccn3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPA1 O75762 4/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL894143 0.92 TRPA1 (0.43) ALDH1A1SMN1; SMN2TRPA1LMNAHTT
SCHEMBL10164557 0.91 TRPA1 (0.39) TRPA1PKM
SCHEMBL10164607 0.90 TRPA1 (0.38) ALDH1A1TRPA1RAB9ALMNANPC1
SCHEMBL10164700 0.89 TRPA1 (0.37) ALDH1A1SMN1; SMN2HPGDKDM4ETRPA1
SCHEMBL10164581 0.89 CYP2C9 (0.40) ALDH1A1SMN1; SMN2HPGDKDM4ETRPA1
SCHEMBL10164537 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4ETRPA1
SCHEMBL10164620 0.88 TRPA1 (0.41) ALDH1A1TRPA1LMNA
SCHEMBL10164600 0.87 TRPA1 (0.38) ALDH1A1SMN1; SMN2HPGDKDM4ETRPA1
SCHEMBL10164597 0.87 TRPA1 (0.47) TRPA1RAB9A
SCHEMBL10164682 0.86 TRPA1 (0.38) 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 ALDH1A1 1469/4885SMN1; SMN2 2836/4885HPGD 554/4885

“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.