SCHEMBL2713680

SCHEMBL2713680

CC(F)(F)COc1ccc(CN2C(=O)c3ccccc3C2=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
CASP3 P42574 3/20 0.43
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.39
CHRM5 P08912 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL2712868 0.82 KCNH2 (0.47) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL8299351 0.81 KDM4E (0.59) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL15351920 0.80 HPGD (0.41) KDM4EPOLBTSHRCASP3KMT2A
SCHEMBL16422570 0.79 CASP3 (0.46) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL15350853 0.79 KMT2A (0.44) KDM4ECASP3KMT2AALDH1A1CYP1A2
SCHEMBL15669934 0.77 KMT2A (0.50) KDM4EUSP2LMNAPOLBTSHR
SCHEMBL12184819 0.74 CASP3 (0.56) KDM4ETSHRCASP3KMT2ACA12
SCHEMBL15670188 0.72 MAPT (0.44) TSHRKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4550334 0.72 L3MBTL1 (0.40) POLBCYP1A2MAPK1MAPT
SCHEMBL2714106 0.72 L3MBTL1 (0.43) POLBMAPK1MAPT

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 KDM4E 1168/4885USP2 3424/4885LMNA 1841/4885

“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.