SCHEMBL2137424

SCHEMBL2137424

CC(NC(=O)c1cc2ccc(F)cc2n1C)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
PHGDH O43175 10/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDH1 O75874 1/20 0.41
KCNK3 O14649 1/20 0.40
ACACB O00763 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
DGAT2 Q96PD7 1/20 0.38

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
SCHEMBL2137411 1.00 EPHX2 (0.44) EPHX2CYP2C9CYP2C19CYP2J2PHGDH
SCHEMBL2139609 0.87 STAT3 (0.40) EPHX2CYP2C9CYP2C19CYP2J2PHGDH
SCHEMBL2139614 0.87 STAT3 (0.40) EPHX2CYP2C9CYP2C19CYP2J2PHGDH
SCHEMBL2135974 0.83 CACNA1I (0.52) CYP2C9CYP2C19PHGDHMEN1KMT2A
SCHEMBL2135970 0.83 CACNA1I (0.52) CYP2C9CYP2C19PHGDHMEN1KMT2A
SCHEMBL2138053 0.83 CACNA1I (0.52) CYP2C9CYP2C19PHGDHMEN1KMT2A
SCHEMBL17240401 0.80 MEN1 (0.47) EPHX2CYP2C9CYP2C19CYP2J2PHGDH
SCHEMBL17240402 0.80 MEN1 (0.47) EPHX2CYP2C9CYP2C19CYP2J2PHGDH
SCHEMBL2137143 0.79 AR (0.46) EPHX2CYP2C9CYP2C19CYP2J2IDH1
SCHEMBL2137153 0.79 AR (0.46) EPHX2CYP2C9CYP2C19CYP2J2IDH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US 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 (2 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H EPHX2 4333/4885CYP2C9 1537/4885CYP2C19 2923/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H EPHX2 4337/4885CYP2C9 1538/4885CYP2C19 2921/4885

“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.