SCHEMBL2713784

SCHEMBL2713784

COC(=O)c1cnc(OCC(F)(F)F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
NOTUM Q6P988 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 3/20 0.39
ATM Q13315 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 2/20 0.37

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
SCHEMBL2718304 0.89 NOTUM (0.40) L3MBTL1NOTUMMAPTMAPK1ATM
SCHEMBL2713733 0.87 L3MBTL1 (0.41) L3MBTL1NOTUMMAPK1ATMLMNA
SCHEMBL2718882 0.87 L3MBTL1 (0.51) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2714862 0.87 LMNA (0.42) L3MBTL1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2714175 0.84 SCN9A (0.45) L3MBTL1NOTUMMAPTMAPK1ATM
SCHEMBL2715307 0.83 SCN9A (0.44) L3MBTL1MAPTMAPK1ATMLMNA
SCHEMBL30862546 0.83 NOTUM (0.50) L3MBTL1NOTUMHDAC3HDAC1HDAC2
SCHEMBL440238 0.83 NOTUM (0.50) L3MBTL1NOTUMHDAC3HDAC1HDAC2
SCHEMBL2716361 0.83 NOTUM (0.41) L3MBTL1NOTUMMAPTMAPK1ATM
SCHEMBL34470376 0.82 MAPT (0.47) L3MBTL1MAPTMAPK1ATMCYP1A2

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 L3MBTL1 2429/4885NOTUM 2390/4885HDAC3 230/4885

“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.