SCHEMBL2713610

SCHEMBL2713610

FC(F)(F)COc1ncc(Br)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.49
AAK1 Q2M2I8 5/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL13281923 0.88 SSTR4 (0.52) SSTR4AAK1PTGS2CYP11B1CYP11B2
SCHEMBL2391289 0.84 SSTR4 (0.46) SSTR4AAK1KDM4ECYP11B1CYP11B2
SCHEMBL20209642 0.82 SSTR4 (0.36) SSTR4AAK1PTGS2ALDH1A1MAPT
SCHEMBL29749337 0.81 SSTR4 (0.44) SSTR4AAK1ALDH1A1MAPTKDM4E
SCHEMBL22638138 0.81 SSTR4 (0.44) SSTR4AAK1ALDH1A1MAPTKDM4E
SCHEMBL17316585 0.81 AAK1 (0.47) SSTR4AAK1PTGS2ALDH1A1MAPT
SCHEMBL15543091 0.81 SMN1; SMN2 (0.37) SSTR4PTGS2ALDH1A1MAPTL3MBTL1
SCHEMBL30851311 0.80 SSTR4 (0.42) SSTR4CYP11B1CYP11B2S1PR4
SCHEMBL322071 0.80 SSTR4 (0.42) SSTR4CYP11B1CYP11B2S1PR4
SCHEMBL20808082 0.79 SSTR4 (0.47) SSTR4KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SSTR4 868/4885AAK1 2999/4885PTGS2 1174/4885

“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.