SCHEMBL2717835

SCHEMBL2717835

COC(=O)c1ccc(OCC(F)(F)F)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 4/20 0.41
CFTR P13569 1/20 0.40
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ATR Q13535 1/20 0.38
LMNA P02545 1/20 0.38
P2RX3 P56373 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL2715673 0.87 L3MBTL1 (0.44) L3MBTL1MAPTEPHX2GAANPC1
SCHEMBL2716290 0.84 NPC1 (0.48) L3MBTL1MAPTCFTRNPC1NFKB1
SCHEMBL2715161 0.84 L3MBTL1 (0.54) L3MBTL1MAPTEPHX2SMN1; SMN2CYP2C9
SCHEMBL2716873 0.83 TDP1 (0.48) L3MBTL1MAPTCFTREPHX2NPC1
SCHEMBL21108575 0.83 CFTR (0.47) L3MBTL1MAPTCFTRGAACYP1A2
SCHEMBL29637045 0.83 CFTR (0.47) L3MBTL1MAPTCFTRGAACYP1A2
SCHEMBL5114620 0.82 TDP1 (0.43) L3MBTL1MAPTNPC1NFKB1RAB9A
SCHEMBL10516883 0.79 CFTR (0.40) L3MBTL1MAPTCFTRGAACYP1A2
SCHEMBL391203 0.79 POLB (0.50) L3MBTL1MAPTNPC1NFKB1RAB9A
SCHEMBL30480593 0.78 TUBB4A (0.56) L3MBTL1MAPTCFTRGAANPC1

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 11 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-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US 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-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
EP-2841421-A1 AMIDE 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-2013161308-A1 AMIDE 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-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN5A, SCN1A L3MBTL1 1939/4885MAPT 2125/4885CFTR 291/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A L3MBTL1 2429/4885MAPT 3185/4885CFTR 245/4885

“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.