SCHEMBL2716285

SCHEMBL2716285

CC(=O)Nc1cc(C(=O)NCc2cnc(OCC(F)F)c(Cl)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.49
GSK3B P49841 5/20 0.47
MAPT P10636 3/20 0.47
KLKB1 P03952 1/20 0.39
MAP4K1 Q92918 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 2/20 0.38
AAK1 Q2M2I8 2/20 0.38
GSK3A P49840 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN5A Q14524 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
SCHEMBL2713412 0.91 SCN9A (0.48) SCN9AGSK3BMAPTJAK2JAK1
SCHEMBL2716465 0.91 SCN9A (0.61) SCN9AGSK3BMAPTTYK2HTT
SCHEMBL18266475 0.90 SCN9A (0.50) SCN9AGSK3BMAPTKLKB1MAP4K1
SCHEMBL2714090 0.90 GSK3B (0.48) SCN9AGSK3BMAPTKLKB1MAP4K1
SCHEMBL16234578 0.89 SCN9A (0.49) SCN9AGSK3BMAPTMAP4K1L3MBTL1
SCHEMBL2716106 0.89 SCN9A (0.47) SCN9AGSK3BMAPTL3MBTL1ALDH1A1
SCHEMBL2716491 0.89 GSK3B (0.52) SCN9AGSK3BMAPTL3MBTL1ACHE
SCHEMBL2714791 0.88 GSK3B (0.52) SCN9AGSK3BMAPTTYK2GSK3A
SCHEMBL2716945 0.87 SCN9A (0.54) SCN9AGSK3BMAPTKLKB1MAP4K1
SCHEMBL2718458 0.86 SCN9A (0.50) SCN9AGSK3BMAPTKLKB1MAP4K1

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 SCN9A 31/4885GSK3B 4093/4885MAPT 3185/4885

“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.