SCHEMBL10164537

SCHEMBL10164537

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccccn3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
TRPA1 O75762 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL894480 0.91 TRPA1 (0.49) ALDH1A1SMN1; SMN2LMNAGLAPKM
SCHEMBL10164505 0.91 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2LMNAPKMRAB9A
SCHEMBL10164567 0.89 TRPA1 (0.44) ALDH1A1L3MBTL1KDM4EMMP8MMP12
SCHEMBL10164615 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAGLAPKM
SCHEMBL10164677 0.88 TRPA1 (0.43) ALDH1A1SMN1; SMN2LMNAGLAPKM
SCHEMBL10164539 0.88 KDM4E (0.50) ALDH1A1SMN1; SMN2LMNAPKMHTT
SCHEMBL10164560 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAHTTRAB9A
SCHEMBL10164529 0.87 MMP8 (0.47) ALDH1A1SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL10164552 0.85 RAB9A (0.53) ALDH1A1SMN1; SMN2LMNAGLAPKM
SCHEMBL10164696 0.84 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2LMNAPKMRAB9A

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 2836/4885LMNA 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.