SCHEMBL4419010

SCHEMBL4419010

CCOC(=O)C=C1Nc2ccccc2N(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CASP1 P29466 1/20 0.57
ALDH1A1 P00352 5/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
EIF4H Q15056 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 3/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
TRPA1 O75762 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
CDC25A P30304 1/20 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
SCHEMBL4419006 1.00 KDM4E (0.57) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL4563368 0.78 MAPK1 (0.65) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL4563367 0.78 MAPK1 (0.65) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL12164812 0.74 MAPK1 (0.60) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL11158162 0.69 ALDH1A1 (0.44) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL11158160 0.69 ALDH1A1 (0.44) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL11576893 0.68 KDM4E (0.60) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL11576891 0.68 KDM4E (0.60) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL249817 0.68 ALDH1A1 (0.64) KDM4EMAPK1HSD17B10CASP1ALDH1A1
SCHEMBL249816 0.68 ALDH1A1 (0.64) KDM4EMAPK1HSD17B10CASP1ALDH1A1

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
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 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 (3 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KDM4E 3303/4885MAPK1 1592/4885HSD17B10 2631/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 KDM4E 3082/4885MAPK1 1867/4885HSD17B10 2457/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK KDM4E 3560/4885MAPK1 1940/4885HSD17B10 2253/4885

“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.