SCHEMBL2714834

SCHEMBL2714834

Cc1nc(OCC(F)(F)F)c(F)cc1CN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.33
SCN9A Q15858 1/20 0.32
MBOAT4 Q96T53 3/20 0.32
CNR2 P34972 1/20 0.32
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31

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
SCHEMBL2717106 0.85 PTGS2 (0.35) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL2715989 0.84 CD274 (0.39) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL28840392 0.81 CNR2 (0.34) ALDH1A1MAPTKDM4EMEN1ALOX15
SCHEMBL27931958 0.77 CYP1A2 (0.36) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL3288328 0.76 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL28130155 0.76 MEN1 (0.36) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL2716490 0.74 L3MBTL1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL18258951 0.73 ACACB (0.36) MAPTMEN1KMT2ASCN9ACNR2
SCHEMBL2714615 0.73 MAPT (0.38) ALDH1A1MAPTKDM4EMEN1ALOX15
SCHEMBL4550309 0.72 L3MBTL1 (0.39) ALDH1A1MAPTKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A ALDH1A1 1358/4885MAPT 3185/4885KDM4E 1168/4885

“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.