SCHEMBL10164618

SCHEMBL10164618

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(N3CCN(CC(C)C)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
EPHX2 P34913 2/20 0.33
POLB P06746 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL894266 0.93 TRPA1 (0.44) TRPA1
SCHEMBL10164606 0.92 LMNA (0.40) TRPA1ALDH1A1LMNA
SCHEMBL10164614 0.91 TRPA1 (0.37) TRPA1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10164600 0.89 TRPA1 (0.38) TRPA1ALDH1A1LMNAMAPTEPHX2
SCHEMBL10164583 0.89 TRPA1 (0.44) TRPA1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10164563 0.88 THRB (0.38) TRPA1LMNAMEN1KMT2AMAPT
SCHEMBL10164621 0.87 TRPA1 (0.47) TRPA1
SCHEMBL10164625 0.85 ALDH1A1 (0.36) TRPA1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10164620 0.85 TRPA1 (0.41) TRPA1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10164646 0.85 TRPA1 (0.39) TRPA1ALDH1A1MEN1KMT2AMAPT

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 TRPA1 1/4885ALDH1A1 1469/4885LMNA 4619/4885

“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.