SCHEMBL2714732

SCHEMBL2714732

CC(=O)Nc1cc(C(=O)NCc2ccc(OCC(F)F)c(C)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
GSK3B P49841 1/20 0.48
CYP3A4 P08684 6/20 0.48
AAK1 Q2M2I8 6/20 0.48
DDR2 Q16832 1/20 0.43
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
KLKB1 P03952 1/20 0.40
MAP4K1 Q92918 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGES O14684 1/20 0.39
KDM1A O60341 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MMP13 P45452 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
SCHEMBL18266548 0.93 AAK1 (0.49) MAPTGSK3BCYP3A4AAK1DDR2
SCHEMBL2715164 0.90 MAPT (0.47) MAPTGSK3BCYP3A4AAK1ROS1
SCHEMBL2717172 0.90 MAPT (0.61) MAPTGSK3BCYP3A4AAK1ROS1
SCHEMBL2716439 0.89 CYP3A4 (0.48) MAPTGSK3BCYP3A4AAK1DDR2
SCHEMBL2715984 0.89 GSK3B (0.48) MAPTGSK3B
SCHEMBL2715594 0.88 GSK3B (0.46) MAPTGSK3BCYP3A4AAK1KLKB1
SCHEMBL2717551 0.87 CYP3A4 (0.39) MAPTGSK3BCYP3A4AAK1DDR2
SCHEMBL2716029 0.86 GSK3B (0.48) MAPTGSK3BCYP3A4AAK1DDR2
SCHEMBL2714090 0.85 GSK3B (0.48) MAPTGSK3BCYP3A4AAK1KLKB1
SCHEMBL2718283 0.85 CYP3A4 (0.45) CYP3A4AAK1DDR2KLKB1MAP4K1

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 MAPT 3185/4885GSK3B 4093/4885CYP3A4 2785/4885

“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.