SCHEMBL10164538

SCHEMBL10164538

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccncc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TRPA1 O75762 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
VCP P55072 2/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
KLKB1 P03952 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL10164500 0.94 VCP (0.39) ALDH1A1TRPA1KMT2AMEN1LMNA
SCHEMBL10164546 0.92 CYP2C9 (0.41) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL894607 0.92 TRPA1 (0.40) TRPA1VCP
SCHEMBL10164609 0.90 TRPA1 (0.38) ALDH1A1TRPA1KMT2AMEN1LMNA
SCHEMBL10164560 0.89 ALDH1A1 (0.42) ALDH1A1TRPA1KMT2ANPC1RAB9A
SCHEMBL10164669 0.89 TRPA1 (0.34) ALDH1A1TRPA1KMT2AMEN1NPC1
SCHEMBL10164567 0.86 TRPA1 (0.44) ALDH1A1TRPA1KMT2AMEN1POLB
SCHEMBL10202205 0.86 VCP (0.44) TRPA1VCPEPHX2
SCHEMBL893858 0.86 VCP (0.44) TRPA1VCPEPHX2
SCHEMBL10164545 0.85 ALDH1A1 (0.45) ALDH1A1TRPA1

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 1469/4885TRPA1 1/4885KMT2A 3371/4885

“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.