SCHEMBL2135835

SCHEMBL2135835

C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
CACNA1I Q9P0X4 3/20 0.51
CACNA1G O43497 2/20 0.51
CACNA1H O95180 2/20 0.51
CNR2 P34972 1/20 0.51
KCNH2 Q12809 1/20 0.51
MAPT P10636 3/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 1/20 0.47
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 1/20 0.46
XDH P47989 1/20 0.43
PDE2A O00408 4/20 0.42
HDAC3 O15379 1/20 0.41
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
NAMPT P43490 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
SCHEMBL2135841 1.00 KDM4E (0.56) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2136701 0.92 KDM4E (0.56) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2136698 0.92 KDM4E (0.56) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2135607 0.90 CACNA1I (0.52) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL10288935 0.90 CACNA1I (0.52) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL17240450 0.90 CACNA1I (0.52) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2135603 0.90 CACNA1I (0.52) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2133413 0.90 CACNA1I (0.52) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2133424 0.90 CACNA1I (0.52) KDM4EGAAKMT2ACACNA1ICACNA1G
SCHEMBL2137818 0.90 KDM4E (0.56) KDM4EGAAKMT2ACACNA1IMAPT

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 10 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-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-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 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
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 KDM4E 837/4885GAA 1422/4885KMT2A 1764/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H KDM4E 830/4885GAA 1432/4885KMT2A 1762/4885

“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.