SCHEMBL894804

SCHEMBL894804

O=C(NCc1cc(-c2ccc(Br)cc2)nc(NCCc2ccc(Cl)cc2Cl)n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.51
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KCNQ1 P51787 1/20 0.40

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
SCHEMBL893439 0.92 TRPA1 (0.58) TRPA1POLBATM
SCHEMBL10202123 0.90 TRPA1 (0.48) TRPA1POLBATMMAPTTHRB
SCHEMBL894402 0.88 TRPA1 (0.56) TRPA1ATMMAPTSMN1; SMN2LMNA
SCHEMBL894132 0.86 TRPA1 (0.52) TRPA1POLBATMMAPTTSHR
SCHEMBL893502 0.86 TRPA1 (0.54) TRPA1ATMMAPTSMN1; SMN2LMNA
SCHEMBL893917 0.86 TRPA1 (0.53) TRPA1POLBATMSMN1; SMN2LMNA
SCHEMBL894827 0.84 TRPA1 (0.55) TRPA1ATMMAPTSMN1; SMN2LMNA
SCHEMBL894376 0.84 TRPA1 (0.52) TRPA1ATMMAPTSMN1; SMN2TSHR
SCHEMBL894348 0.83 TRPA1 (0.58) TRPA1ATMMAPTSMN1; SMN2LMNA
SCHEMBL893480 0.83 TRPA1 (0.57) TRPA1ATMMAPTSMN1; 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 1/4885POLB 4754/4885ATM 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.