SCHEMBL2714767

SCHEMBL2714767

COc1cc(CCl)ccc1OCC(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.53
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
CA2 P00918 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 2/20 0.41
CALM1 P0DP23 2/20 0.41
LDHA P00338 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 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
SCHEMBL4550723 0.84 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL2713576 0.84 NPC1 (0.52) TTRALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL12844408 0.83 NPC1 (0.50) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL2714173 0.83 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL2718192 0.82 SCN4A (0.40) TTRSMN1; SMN2LMNAPOLB
SCHEMBL12775943 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL30074670 0.80 CA2 (0.68) TTRALDH1A1KDM4EMAPTCA2
SCHEMBL185845 0.80 CA2 (0.68) TTRALDH1A1KDM4EMAPTCA2
SCHEMBL5024938 0.80 TTR (0.55) TTRALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL2715112 0.80 HTT (0.37) TTRALDH1A1KDM4ELMNAHTT

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 14 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-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP 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
CN-104520296-B Pyrrolopyridinone derivatives as TTX-S blocker 拉夸里亚创药株式会社 2016-11-16 CN disclosed
CN-103249721-B Arylamine Derivatives as TTX-S Blockers 拉夸里亚创药株式会社 2016-10-12 CN disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-9187475-B2 Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-11-17 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO 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 (2 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-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A TTR 555/4885ALDH1A1 2675/4885SMN1; SMN2 338/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A TTR 692/4885ALDH1A1 1358/4885SMN1; SMN2 598/4885

“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.