SCHEMBL2713652

SCHEMBL2713652

CCC(=O)Nc1cc(C(=O)NCc2ccc(F)c(C(F)(F)F)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.53
P2RX7 Q99572 5/20 0.46
PTPN7 P35236 4/20 0.45
DUSP3 P51452 4/20 0.45
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM1A O60341 2/20 0.42
HDAC1 Q13547 2/20 0.42
ROS1 P08922 1/20 0.42
ALK Q9UM73 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPT P10636 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
EPHX2 P34913 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 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
SCHEMBL2715796 0.90 HDAC1 (0.42) NR3C2KDM1AHDAC1ROS1ALK
SCHEMBL2713531 0.90 NR3C2 (0.54) NR3C2P2RX7PTPN7DUSP3PPARD
SCHEMBL2714531 0.89 ROS1 (0.53) P2RX7ROS1ALKJAK2JAK1
SCHEMBL2714956 0.87 ROCK2 (0.51) PPARDPPARAKDM1AHDAC1ROS1
SCHEMBL2714928 0.87 GSK3B (0.57) NR3C2P2RX7MAPTGSK3AGSK3B
SCHEMBL2716842 0.87 NR3C2 (0.52) NR3C2P2RX7PTPN7DUSP3PPARD
SCHEMBL2715142 0.85 SCN3A (0.45) P2RX7SMN1; SMN2
SCHEMBL18266818 0.84 HDAC1 (0.43) KDM1AHDAC1EPHX2JAK2JAK1
SCHEMBL18266707 0.84 JAK2 (0.40) KDM1AHDAC1ROS1ALKMAPT
SCHEMBL18266811 0.84 JAK2 (0.40) KDM1AHDAC1ROS1ALKJAK2

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 14 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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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 NR3C2 1290/4885P2RX7 354/4885PTPN7 591/4885

“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.