SCHEMBL2139773

SCHEMBL2139773

CCOC(=O)c1cc2ccc(C(F)(F)F)cc2n1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.43
ESR1 P03372 1/20 0.43
NOD2 Q9HC29 4/20 0.43
NOD1 Q9Y239 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CCR2 P41597 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1969847 0.86 MAOB (0.43) ALOX5KDM4EMAPTCRHBPCRHR2
SCHEMBL3920560 0.82 NOD2 (0.53) KDM4EMAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL31710561 0.82 MAPT (0.45) ALOX5KDM4EMAPTCRHBPCRHR2
SCHEMBL6796925 0.81 CA12 (0.49) ALOX5KDM4EMAPTCRHBPCRHR2
SCHEMBL2140750 0.80 MCL1 (0.57) KDM4ESMN1; SMN2CCR2ALDH1A1
SCHEMBL30667339 0.80 MCL1 (0.57) KDM4ESMN1; SMN2CCR2ALDH1A1
SCHEMBL30995214 0.80 USP2 (0.43) KDM4ECRHBPCRHR2SMN1; SMN2MAOB
SCHEMBL7626390 0.80 NOD2 (0.53) KDM4EMAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL21463709 0.80 LMNA (0.47) KDM4EMAPTCRHBPCRHR2SMN1; SMN2
SCHEMBL6753155 0.80 MCL1 (0.49) KDM4EMAPTCRHBPCRHR2SMN1; SMN2

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 7 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
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 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
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 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 (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 ALOX5 2875/4885KDM4E 837/4885MAPT 2691/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALOX5 2862/4885KDM4E 830/4885MAPT 2659/4885

“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.