SCHEMBL2139505

SCHEMBL2139505

O=C(O)[C@@H]1C[C@H]1c1ccc2cc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ FFAR1 O14842 6/20 0.45
▸ TYR P14679 1/20 0.43
▸ CYP2A6 P11509 1/20 0.40
▸ AHR P35869 3/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ GHSR Q92847 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ ESR1 P03372 2/20 0.37

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
SCHEMBL2139498 1.00 ENPP2 (0.50) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2137011 0.89 FFAR1 (0.44) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6627098 0.78 EPHX2 (0.41) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6627087 0.76 ALDH1A1 (0.39) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4131932 0.76 FFAR1 (0.57) FFAR1
SCHEMBL4131928 0.76 FFAR1 (0.57) FFAR1
SCHEMBL6626338 0.73 CYP2A6 (0.49) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22991976 0.71 FFAR1 (0.51) KDM4EFFAR1KDM1AMAPT
SCHEMBL14640227 0.71 FFAR1 (0.51) KDM4EFFAR1KDM1AMAPT
SCHEMBL6999004 0.70 FFAR1 (0.55) ALDH1A1FFAR1

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 9 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
CN-102448937-A Aryl Substituted Carboxamide Derivatives As Calcium Or Sodium Channel Blockers RAQUALIA PHARMA INC 2012-05-09 — — CN 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
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 ENPP2 906/4885KDM4E 837/4885ALDH1A1 2895/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ENPP2 918/4885KDM4E 830/4885ALDH1A1 2882/4885

“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.

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