SCHEMBL2139607

SCHEMBL2139607

CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(OCc2ccccc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
SRD5A2 P31213 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CYP51A1 Q16850 1/20 0.47
FLT3 P36888 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP8 Q14790 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2139602 1.00 PYGL (0.53) PYGLKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL17240511 0.94 PYGL (0.48) PYGLKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL17240513 0.94 PYGL (0.48) PYGLKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2136426 0.90 PYGL (0.45) PYGLKDM4EALDH1A1CYP51A1FLT3
SCHEMBL2136433 0.90 PYGL (0.45) PYGLKDM4EALDH1A1CYP51A1FLT3
SCHEMBL2133424 0.85 CACNA1I (0.52) PYGLKDM4EALDH1A1FLT3
SCHEMBL2133413 0.85 CACNA1I (0.52) PYGLKDM4EALDH1A1FLT3
SCHEMBL2135707 0.84 ACACB (0.52) PYGLKDM4EALDH1A1CTSSCTSK
SCHEMBL2135716 0.84 ACACB (0.52) PYGLKDM4EALDH1A1CTSSCTSK
SCHEMBL2133681 0.83 SMYD3 (0.42) PYGLKDM4EALDH1A1CYP51A1FLT3

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 3 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-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 (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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H PYGL 3367/4885KDM4E 837/4885ALDH1A1 2895/4885

“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.