SCHEMBL10164552

SCHEMBL10164552

Cc1ccc(-c2cc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc(NCc3ccccn3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
GLA P06280 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TRPA1 O75762 6/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.48
FKBP1A P62942 1/20 0.47

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
SCHEMBL894448 0.92 ALDH1A1 (0.56) GLAALDH1A1LMNAPKMHTT
SCHEMBL10164503 0.91 L3MBTL1 (0.56) RAB9AGLALMNASMN1; SMN2L3MBTL1
SCHEMBL10164541 0.88 TSHR (0.53) RAB9AGLAALDH1A1L3MBTL1TRPA1
SCHEMBL10164597 0.88 TRPA1 (0.47) RAB9ATRPA1
SCHEMBL10164675 0.88 L3MBTL1 (0.51) RAB9AGLAALDH1A1LMNAPKM
SCHEMBL10164634 0.87 TSHR (0.67) RAB9AALDH1A1LMNAL3MBTL1TRPA1
SCHEMBL10164558 0.87 RAB9A (0.44) RAB9AGLAALDH1A1LMNAPKM
SCHEMBL10164533 0.87 L3MBTL1 (0.56) RAB9AGLAL3MBTL1TRPA1TSHR
SCHEMBL10164537 0.85 ALDH1A1 (0.46) RAB9AGLAALDH1A1LMNAPKM
SCHEMBL10164691 0.84 L3MBTL1 (0.53) RAB9AGLALMNASMN1; SMN2L3MBTL1

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 RAB9A 1608/4885GLA 4466/4885ALDH1A1 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.