SCHEMBL3720194

SCHEMBL3720194

NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.54
SCN10A Q9Y5Y9 2/20 0.46
LOX P28300 2/20 0.46
HTR2C P28335 1/20 0.44
ABL1 P00519 4/20 0.43
BCR P11274 3/20 0.43
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
MAT2A P31153 1/20 0.42
PRMT6 Q96LA8 1/20 0.41
TRPA1 O75762 1/20 0.41
SCN5A Q14524 1/20 0.41
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 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
SCHEMBL10163809 0.87 SCN10A (0.50) SCN10AABL1BCRKDM4ENPC1
SCHEMBL13044942 0.85 SCN10A (0.46) SCN10AABL1BCRKDM4ENPC1
SCHEMBL18233505 0.84 LOXL2 (0.52) LOXL2LOXALDH1A1MAPTSCN5A
SCHEMBL16004912 0.83 ACP1 (0.46) LOXL2SCN10AHTR2CKDM4ENPC1
Hydrochloric Acid SCHEMBL18223875 0.83 LOXL2 (0.51) LOXL2LOXALDH1A1MAPTSCN5A
SCHEMBL2863908 0.81 SCN10A (0.51) LOXL2SCN10AABL1BCRTRPA1
SCHEMBL18236590 0.81 LOXL2 (0.55) LOXL2LOXKDM4EALDH1A1GAA
SCHEMBL3718582 0.80 LOXL2 (0.57) LOXL2LOXABL1BCR
SCHEMBL27699319 0.79 FFAR1 (0.53) LOXL2SCN10AABL1TRPA1SCN5A
SCHEMBL18049349 0.78 LOXL2 (0.62) LOXL2LOXNPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
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
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
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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 LOXL2 2922/4885SCN10A 71/4885LOX 3920/4885

“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.