SCHEMBL2716736

SCHEMBL2716736

COc1cc(CNC(=O)c2ccnc(NC(C)=O)c2)ccc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
LMNA P02545 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
GSK3B P49841 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ROS1 P08922 1/20 0.47
ALK Q9UM73 1/20 0.47
KDM1A O60341 2/20 0.45
GSK3A P49840 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL2713836 0.91 HDAC1 (0.48) HDAC1LMNAGSK3BMAPTROS1
SCHEMBL2714634 0.90 GSK3B (0.61) HDAC1LMNAGSK3BMAPTSMN1; SMN2
SCHEMBL2716029 0.89 GSK3B (0.48) HDAC1ALDH1A1GSK3BMAPTKDM1A
SCHEMBL2714311 0.89 GSK3B (0.60) HDAC1GSK3BMAPTROS1ALK
SCHEMBL2718582 0.87 LMNA (0.46) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL2719835 0.87 GSK3B (0.48) HDAC1ALDH1A1GSK3BMAPTKDM1A
SCHEMBL18266588 0.84 HDAC1 (0.47) HDAC1LMNAGSK3BMAPTROS1
SCHEMBL2716124 0.84 EPHX2 (0.48) HDAC1LMNAGSK3BMAPTSMN1; SMN2
SCHEMBL2714423 0.82 EPHX2 (0.48) HDAC1GSK3BMAPTKDM1AGSK3A
SCHEMBL2715255 0.80 RIPK1 (0.48)

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 HDAC1 361/4885LMNA 1841/4885ALDH1A1 1358/4885

“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.