SCHEMBL10164560

SCHEMBL10164560

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(Cl)s3)cc(NCc3ccccn3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RAB9A P51151 4/20 0.38
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
TRPA1 O75762 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL893626 0.92 TRPA1 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL10164500 0.91 VCP (0.39) ALDH1A1LMNATRPA1KMT2A
SCHEMBL10164538 0.89 ALDH1A1 (0.37) ALDH1A1RAB9ALMNATRPA1KMT2A
SCHEMBL10164546 0.88 CYP2C9 (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL10164609 0.87 TRPA1 (0.38) ALDH1A1LMNAHTTTRPA1KMT2A
SCHEMBL10164537 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2ADORA2A
SCHEMBL10164521 0.86 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ESMN1; SMN2ADORA2A
SCHEMBL10164558 0.86 RAB9A (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2ADORA2A
SCHEMBL10164615 0.85 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ESMN1; SMN2ADORA2A
SCHEMBL10164672 0.85 TRPA1 (0.34) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA

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 1469/4885HPGD 554/4885KDM4E 4514/4885

“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.