SCHEMBL2714975

SCHEMBL2714975

O=C(OCC(F)(F)F)c1ccc(OCC(F)(F)F)nc1N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.38
SCN10A Q9Y5Y9 3/20 0.37
JMJD6 Q6NYC1 1/20 0.36
SCN9A Q15858 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK3 P52333 1/20 0.35
CNR2 P34972 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
KIF18A Q8NI77 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2714824 0.88 CNR2 (0.46) MEN1KMT2AL3MBTL1KDM4ECNR2
SCHEMBL2713858 0.88 KCNH2 (0.41) MEN1KMT2AL3MBTL1KDM4EJMJD6
SCHEMBL15351260 0.88 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1KDM4ESCN10A
SCHEMBL2714690 0.78 KDM4E (0.40) L3MBTL1KDM4ESCN9AFFAR4SCN7A
SCHEMBL15350791 0.76 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1KDM4ESCN9A
SCHEMBL15350570 0.76 KIF18A (0.45) L3MBTL1FFAR4CNR2LMNATP53
SCHEMBL2715673 0.76 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1KDM4EJMJD6
SCHEMBL29286473 0.75 SCN10A (0.47) L3MBTL1SCN10ACNR2KIF18A
SCHEMBL15350385 0.75 FFAR4 (0.43) KMT2AL3MBTL1SCN10ASCN9AFFAR4
SCHEMBL27913678 0.75 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1KDM4ELMNA

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 7 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
CN-106478497-A Aryl amine derivatives as TTX S blocker 拉夸里亚创药株式会社 2017-03-08 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 MEN1 4237/4885KMT2A 1036/4885L3MBTL1 2429/4885

“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.