SCHEMBL10164558

SCHEMBL10164558

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(F)cc3)cc(NCc3ccccn3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
TRPA1 O75762 12/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL894108 0.92 TRPA1 (0.47) TRPA1
SCHEMBL10164502 0.91 TRPA1 (0.44) TRPA1ALDH1A1KDM4ETP53
SCHEMBL10164545 0.89 ALDH1A1 (0.45) TRPA1ALDH1A1TP53
SCHEMBL10164549 0.88 TSHR (0.50) TRPA1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL10164592 0.87 TRPA1 (0.47) TRPA1TP53
SCHEMBL10164552 0.87 RAB9A (0.53) RAB9ATRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL10164560 0.86 ALDH1A1 (0.42) RAB9ATRPA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10164597 0.85 TRPA1 (0.47) RAB9ATRPA1
SCHEMBL10164671 0.84 TRPA1 (0.42) TRPA1TP53
SCHEMBL10201446 0.82 TRPA1 (0.48) 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 RAB9A 1608/4885TRPA1 1/4885ALDH1A1 1469/4885

“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.