SCHEMBL2715219

SCHEMBL2715219

CC(C)C(=O)Nc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.59
MAPT P10636 9/20 0.59
SCN9A Q15858 1/20 0.53
EPHX2 P34913 2/20 0.48
GSK3A P49840 2/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
PTGES O14684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KLKB1 P03952 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2716124 0.89 EPHX2 (0.48) GSK3BMAPTSCN9AEPHX2GSK3A
SCHEMBL2715900 0.89 SCN9A (0.51) GSK3BMAPTSCN9AEPHX2LMNA
SCHEMBL2714384 0.89 GSK3B (0.60) GSK3BMAPTSCN9AEPHX2GSK3A
SCHEMBL2716340 0.87 EPHX2 (0.47) GSK3BMAPTSCN9AEPHX2GSK3A
SCHEMBL15350981 0.87 EPHX2 (0.55) GSK3BMAPTSCN9AEPHX2PTGES
SCHEMBL2717039 0.86 GSK3B (0.59) GSK3BMAPTSCN9AEPHX2GSK3A
SCHEMBL2715633 0.86 GSK3B (0.61) GSK3BMAPTSCN9AGSK3AROS1
SCHEMBL2714634 0.85 GSK3B (0.61) GSK3BMAPTSCN9AGSK3ALMNA
SCHEMBL2716035 0.84 GSK3B (0.59) GSK3BMAPTEPHX2GSK3A
SCHEMBL2715890 0.84 MAPT (0.57) GSK3BMAPTSCN9ALMNAHTT

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 3185/4885SCN9A 31/4885

“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.