SCHEMBL894210

SCHEMBL894210

N#Cc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.46
SCN5A Q14524 3/20 0.46
TRPA1 O75762 2/20 0.46
SCN9A Q15858 1/20 0.46
USP30 Q70CQ3 1/20 0.44
ABL1 P00519 4/20 0.43
BCR P11274 2/20 0.43
NISCH Q9Y2I1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
MAT2A P31153 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH1 P35367 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL16004999 0.83 SCN5A (0.49) SCN5ATRPA1SCN9ANISCHKDM4E
SCHEMBL16033788 0.82 KDM4C (0.66) SIGMAR1HRH1FNTBKDM5AKDM2B
SCHEMBL28524044 0.80 MEN1 (0.54) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL893514 0.80 KIF11 (0.56) USP30ABL1BCRNISCHKDM1A
SCHEMBL15104626 0.78 NPY5R (0.53) KDM4EALDH1A1GAA
SCHEMBL16635303 0.78 KMO (0.54) SCN5ATRPA1SCN9AABL1BCR
SCHEMBL19514025 0.78 KDM4E (0.57) SCN5ATRPA1SCN9ANISCHKDM4E
SCHEMBL17116616 0.77 PPARG (0.43) USP30KDM4C
SCHEMBL6180227 0.77 SCN10A (0.58) SCN10ASCN5AABL1BCRKDM4E
SCHEMBL22738478 0.77 KMO (0.51) SCN10ASCN5ASCN9AUSP30NISCH

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 EP disclosed
CN-105143188-A Novel sulfonamide trpa1 receptor antagonists PHARMESTE S R L IN LIQUIDATION 2015-12-09 CN disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 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
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 (2 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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 SCN10A 71/4885SCN5A 123/4885TRPA1 1/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 SCN10A 176/4885SCN5A 410/4885TRPA1 1/4885

“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.