SCHEMBL2713624

SCHEMBL2713624

CCOc1nc(OCC(F)(F)F)ccc1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 2/20 0.36
GAA P10253 2/20 0.36
SCN9A Q15858 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
DRD3 P35462 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2713566 0.90 GAA (0.42) RPS6KA2KMT2AALDH1A1MEN1PKM
SCHEMBL2714114 0.78 CYP1A2 (0.40) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL2714393 0.77 SMN1; SMN2 (0.36) KMT2AALDH1A1MEN1PKMKDM4E
SCHEMBL2716444 0.75 RPS6KA3 (0.42) RPS6KA2ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL4550327 0.75 L3MBTL1 (0.36) KMT2AMEN1SCN9AHPGDCYP1A2
SCHEMBL2716761 0.75 L3MBTL1 (0.39) KMT2AMEN1HPGDPDCD1LG2CD274
Hydrochloric Acid SCHEMBL2717471 0.74 MBOAT4 (0.35) KMT2AMEN1KDM4ESCN9AHPGD
SCHEMBL2714962 0.74 KDM4E (0.42) RPS6KA2KMT2AALDH1A1MEN1PKM
SCHEMBL2714615 0.73 MAPT (0.38) KMT2AALDH1A1MEN1PKMKDM4E
SCHEMBL2714980 0.72 RXFP1 (0.41) KMT2AALDH1A1MEN1PKMKDM4E

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 RPS6KA2 2891/4885KMT2A 1036/4885ALDH1A1 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.