SCHEMBL10164600

SCHEMBL10164600

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CC(F)(F)CN3S(=O)(=O)c3ccc(Cl)s3)cc(N3CCN(Cc4ccccn4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
RAB9A P51151 2/20 0.34
HSD11B1 P28845 1/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TACR3 P29371 1/20 0.33
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 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
SCHEMBL894126 0.93 TRPA1 (0.41) TRPA1ALDH1A1SMN1; SMN2LMNAGLA
SCHEMBL10164606 0.93 LMNA (0.40) TRPA1ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL10164614 0.91 TRPA1 (0.37) TRPA1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL10164618 0.89 TRPA1 (0.38) TRPA1ALDH1A1POLBLMNAFAAH
SCHEMBL10164622 0.88 TRPA1 (0.45) TRPA1KDM4EALDH1A1POLBPKM
SCHEMBL10164615 0.87 ALDH1A1 (0.40) TRPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL10164563 0.87 THRB (0.38) TRPA1LMNAFAAHEPHX2MAPT
SCHEMBL10164521 0.86 ALDH1A1 (0.38) TRPA1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL893631 0.85 TRPA1 (0.41) TRPA1SMN1; SMN2LMNA
SCHEMBL893153 0.84 TRPA1 (0.41) 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 TRPA1 1/4885KDM4E 4514/4885ALDH1A1 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.