SCHEMBL10163809

SCHEMBL10163809

CCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.50
MAT2A P31153 1/20 0.45
ABL1 P00519 3/20 0.44
BCR P11274 2/20 0.44
KDM5A P29375 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 1/20 0.42
SCN5A Q14524 1/20 0.42
ACP1 P24666 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
FAAH O00519 3/20 0.41
NOS3 P29474 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
SCHEMBL13044942 0.87 SCN10A (0.46) SCN10AMAT2AABL1BCRKDM5A
SCHEMBL3720194 0.87 LOXL2 (0.54) SCN10AMAT2AABL1BCRKDM5A
SCHEMBL2863908 0.82 SCN10A (0.51) SCN10AABL1BCRKDM5AKDM2B
SCHEMBL8269810 0.82 SCN10A (0.54) SCN10AMAT2AABL1BCRKDM5A
SCHEMBL6180227 0.81 SCN10A (0.58) SCN10AMAT2AABL1BCRKDM5A
SCHEMBL15383833 0.81 SCN9A (0.52) KDM4EGAAMAPTNOS3NOS1
SCHEMBL27699319 0.80 FFAR1 (0.53) SCN10AABL1KDM5AKDM2BKDM4C
SCHEMBL13534468 0.79 NOS3 (0.47) NPC1GAAMAPTRAB9ANOS3
SCHEMBL13568537 0.78 SCN10A (0.49) SCN10AMAT2AABL1BCRKDM5A
SCHEMBL28042873 0.78 SCN10A (0.55) SCN10AMAT2AABL1BCRKDM5A

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 1 patent. 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

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 SCN10A 176/4885MAT2A 2258/4885ABL1 3488/4885

“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.