SCHEMBL2714980

SCHEMBL2714980

COc1nc(OCC(F)(F)F)c(F)cc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRM5 P41594 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP3 P42574 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL2714615 0.88 MAPT (0.38) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL2713566 0.82 GAA (0.42) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL2713935 0.77 CASP3 (0.42) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL25117916 0.75 GAA (0.53) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL30184392 0.75 GAA (0.53) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL2713484 0.74 PTGS2 (0.46) CYP2C19
SCHEMBL2715989 0.74 CD274 (0.39) KDM4EMEN1KMT2AHSD17B10L3MBTL1
SCHEMBL2713624 0.72 RPS6KA2 (0.39) RXFP1GAAKDM4ERECQLTSHR
SCHEMBL15350590 0.71 MAPT (0.45) RECQLTSHRMEN1KMT2AHPGD
SCHEMBL15350834 0.71 MEN1 (0.44) GAARECQLTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
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
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

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 RXFP1 2894/4885GAA 519/4885KDM4E 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.