SCHEMBL2714503

SCHEMBL2714503

CCCC(=O)Nc1cc(C(=O)NCc2ccc(OC(C)C(F)(F)F)nc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.41
KLK1 P06870 1/20 0.41
RORC P51449 1/20 0.41
HDAC1 Q13547 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 2/20 0.39
GSK3B P49841 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NTRK1 P04629 2/20 0.38
ROS1 P08922 2/20 0.37
PTGES O14684 2/20 0.37
ALK Q9UM73 1/20 0.37
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 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
SCHEMBL2714498 1.00 KLKB1 (0.41) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2715946 0.93 HDAC1 (0.41) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2715950 0.93 HDAC1 (0.41) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2715203 0.89 HDAC1 (0.42) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2715198 0.89 HDAC1 (0.42) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2713957 0.88 SCN9A (0.51) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2713952 0.88 SCN9A (0.51) KLKB1KLK1RORCHDAC1SCN9A
SCHEMBL2715405 0.86 EPHX2 (0.45) KLKB1HDAC1SCN9AMAPTGSK3B
SCHEMBL2717859 0.86 GSK3B (0.49) MAPTGSK3B
SCHEMBL2717856 0.86 GSK3B (0.49) MAPTGSK3B

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 11 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
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

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 KLKB1 4560/4885KLK1 4748/4885RORC 3140/4885

“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.