SCHEMBL2715526

SCHEMBL2715526

CCC(=O)Nc1cc(C(=O)NCc2cccc(C(F)(F)F)n2)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 2/20 0.48
ADORA2A P29274 4/20 0.43
GLS O94925 1/20 0.43
TGFBR1 P36897 2/20 0.43
TGFBR2 P37173 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 4/20 0.40
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
PHGDH O43175 1/20 0.39
ADORA2B P29275 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
SCHEMBL18266254 0.93 MEN1 (0.41) HSD17B13ADORA2AGLSTGFBR1TGFBR2
SCHEMBL2715988 0.87 SCN9A (0.51) HSD17B13ADORA2AGLSADORA3ADORA1
SCHEMBL2715941 0.86 TGFBR1 (0.51) HSD17B13ADORA2AGLSTGFBR1TGFBR2
SCHEMBL2719487 0.85 MEN1 (0.41) HSD17B13ADORA2ATGFBR1TGFBR2MEN1
SCHEMBL2714095 0.82 KMT2A (0.56) MEN1LMNAKMT2ARAB9ATDP1
SCHEMBL26790250 0.78 ADORA2A (0.49) HSD17B13ADORA2AGLSLMNAPOLB
SCHEMBL18266380 0.78 KMT2A (0.47) ADORA2AMEN1LMNAKMT2ANPC1
SCHEMBL2714267 0.78 RIPK1 (0.48) HSD17B13ADORA2AADORA3ADORA1EPHX2
SCHEMBL2716839 0.78 GLS (0.41) GLSMEN1LMNAKMT2ANPC1
SCHEMBL2715895 0.77 MAPK14 (0.55) GLS

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 HSD17B13 4263/4885ADORA2A 1699/4885GLS 444/4885

“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.