SCHEMBL2714070

SCHEMBL2714070

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.48
MAPK1 P28482 2/20 0.42
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
SCN9A Q15858 2/20 0.38
PSMD14 O00487 1/20 0.36
MAPK10 P53779 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 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
SCHEMBL15670829 0.84 POLB (0.41) GABRA5MAPK1KDM4EL3MBTL1ATM
SCHEMBL2714373 0.84 ATM (0.43) GABRA5MAPK1KDM4EL3MBTL1ATM
SCHEMBL2713893 0.84 HCAR2 (0.38) GABRA5L3MBTL1SCN9APOLBMAPT
SCHEMBL2714013 0.83 MAPT (0.39) GABRA5MAPK1KDM4EL3MBTL1ATM
SCHEMBL2716513 0.83 SCN9A (0.46) MAPK1ATMSCN9A
SCHEMBL2715146 0.82 MAPK1 (0.38) GABRA5MAPK1KDM4EL3MBTL1ATM
SCHEMBL30862546 0.81 NOTUM (0.50) GABRA5MAPK1NOTUMKDM4EL3MBTL1
SCHEMBL440238 0.81 NOTUM (0.50) GABRA5MAPK1NOTUMKDM4EL3MBTL1
SCHEMBL1505698 0.81 MAPK1 (0.50) GABRA5MAPK1NOTUMKDM4EL3MBTL1
SCHEMBL2714779 0.80 MAPK1 (0.36) GABRA5MAPK1KDM4EL3MBTL1ATM

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 GABRA5 140/4885MAPK1 3779/4885NOTUM 2390/4885

“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.