SCHEMBL2716451

SCHEMBL2716451

CCC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)F)cc2C)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 1/20 0.38
KLKB1 P03952 1/20 0.37
MAP4K1 Q92918 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PTGES O14684 1/20 0.36
MAPK1 P28482 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
GSK3A P49840 1/20 0.36
HDAC1 Q13547 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2715224 0.90 MAPT (0.58) GSK3BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2716379 0.87 GSK3B (0.46) GSK3BMAPTNPC1TP53RAB9A
SCHEMBL2716039 0.85 MAPT (0.44) GSK3BMAPTSCN9AKLKB1MAP4K1
SCHEMBL2715144 0.82 GSK3B (0.44) GSK3BMAPTNPC1TP53RAB9A
SCHEMBL2719033 0.82 GSK3B (0.43) GSK3BMAPTSCN9APTGESJAK2
SCHEMBL2715453 0.81 MAPT (0.49) GSK3BMAPTNPC1TP53RAB9A
SCHEMBL2717705 0.81 GSK3B (0.47) GSK3BMAPTNPC1TP53RAB9A
SCHEMBL2715164 0.80 MAPT (0.47) GSK3BMAPTALDH1A1LMNAHDAC1
SCHEMBL2713374 0.80 GSK3B (0.51) GSK3BMAPTSMN1; SMN2SCN9ALMNA
SCHEMBL2715912 0.80 ROCK2 (0.45) GSK3BMAPTSCN9ALMNAPTGES

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 13 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 claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
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
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 GSK3B 4093/4885MAPT 3185/4885NPC1 705/4885

“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.