SCHEMBL893917

SCHEMBL893917

O=C(NCc1cc(-c2ccc(Br)cc2)nc(NCCc2ccccn2)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.53
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 1/20 0.49
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL10203330 0.89 TRPA1 (0.50) TRPA1HTTALDH1A1LMNAGLA
SCHEMBL894402 0.89 TRPA1 (0.56) TRPA1LMNASMN1; SMN2ATMTSHR
SCHEMBL894132 0.87 TRPA1 (0.52) TRPA1ALDH1A1ATMTSHRPOLB
SCHEMBL893502 0.87 TRPA1 (0.54) TRPA1LMNASMN1; SMN2ATMTSHR
SCHEMBL894804 0.86 TRPA1 (0.51) TRPA1LMNASMN1; SMN2ATMTSHR
SCHEMBL894524 0.85 TSHR (0.65) TRPA1LMNAATMKMT2ATSHR
SCHEMBL894827 0.84 TRPA1 (0.55) TRPA1LMNASMN1; SMN2ATMTSHR
SCHEMBL894376 0.84 TRPA1 (0.52) TRPA1SMN1; SMN2ATMKMT2ATSHR
SCHEMBL894348 0.84 TRPA1 (0.58) TRPA1HTTLMNASMN1; SMN2ATM
SCHEMBL893480 0.83 TRPA1 (0.57) TRPA1LMNASMN1; SMN2ATMTSHR

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 3 patents. 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
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 1/4885HTT 158/4885ALDH1A1 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.