SCHEMBL893502

SCHEMBL893502

CCCCNc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
FKBP1A P62942 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
KCNQ1 P51787 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL894402 0.92 TRPA1 (0.56) TRPA1SMN1; SMN2ATMMAPTTDP1
SCHEMBL893080 0.91 TRPA1 (0.65) TRPA1SMN1; SMN2ATMKCNQ1
SCHEMBL894827 0.89 TRPA1 (0.55) TRPA1SMN1; SMN2ATMMAPTTDP1
SCHEMBL10201410 0.88 MAPT (0.52) TRPA1SMN1; SMN2ATMFKBP1AMAPT
SCHEMBL894376 0.87 TRPA1 (0.52) TRPA1SMN1; SMN2ATMMAPTTDP1
SCHEMBL894132 0.87 TRPA1 (0.52) TRPA1ATMMAPTTDP1TSHR
SCHEMBL894348 0.87 TRPA1 (0.58) TRPA1SMN1; SMN2ATMMAPTTDP1
SCHEMBL893917 0.87 TRPA1 (0.53) TRPA1SMN1; SMN2ATMTSHRLMNA
SCHEMBL893480 0.86 TRPA1 (0.57) TRPA1SMN1; SMN2ATMMAPTTDP1
SCHEMBL894804 0.86 TRPA1 (0.51) TRPA1SMN1; SMN2ATMMAPTTDP1

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 1/4885SMN1; SMN2 2836/4885ATM 2689/4885

“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.