SCHEMBL2715239

SCHEMBL2715239

COc1cc(CNC(=O)c2cc(C)nc(NC(=O)C(C)C)c2)ccc1OCC(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.45
GSK3B P49841 1/20 0.45
SCN9A Q15858 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2714847 0.91 MAPT (0.47) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2718447 0.90 MAPT (0.46) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2715174 0.89 SCN9A (0.51) SMN1; SMN2LMNAMAPTGSK3BSCN9A
SCHEMBL4550409 0.89 MAPT (0.45) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2714832 0.89 SCN9A (0.50) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2716382 0.84 HPGD (0.45) SMN1; SMN2MAPTGSK3BSCN9AADORA3
SCHEMBL2714698 0.82 SCN9A (0.48) SMN1; SMN2ALDH1A1LMNAMAPTGSK3B
SCHEMBL2715341 0.82 MAPT (0.47) SMN1; SMN2ALDH1A1MAPK1MAPTGSK3B
SCHEMBL2717551 0.81 CYP3A4 (0.39) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2715226 0.81 SCN9A (0.47) SMN1; SMN2ALDH1A1LMNAMAPTGSK3B

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 SMN1; SMN2 598/4885ALDH1A1 1358/4885LMNA 1841/4885

“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.