SCHEMBL894827

SCHEMBL894827

C#CCNc1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.55
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.46
KCNQ1 P51787 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10201954 0.91 TRPA1 (0.65) TRPA1ATMKCNQ1
SCHEMBL894402 0.89 TRPA1 (0.56) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL893502 0.89 TRPA1 (0.54) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL10201935 0.88 MAPT (0.53) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL894348 0.88 TRPA1 (0.58) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL893480 0.87 TRPA1 (0.57) TRPA1ATMTSHRKCNQ1MAPT
SCHEMBL894524 0.85 TSHR (0.65) TRPA1ATMTSHRLMNAL3MBTL1
SCHEMBL894132 0.85 TRPA1 (0.52) TRPA1ATMTSHRMAPTTDP1
SCHEMBL894376 0.85 TRPA1 (0.52) TRPA1ATMTSHRMAPTTDP1
SCHEMBL893917 0.84 TRPA1 (0.53) TRPA1ATMTSHRSMN1; 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 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 1/4885ATM 2689/4885TSHR 2952/4885

“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.