SCHEMBL3975423

SCHEMBL3975423

CCc1nc2ccccc2n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
ALDH1A1 P00352 4/20 0.69
MAPK1 P28482 3/20 0.69
HPGD P15428 3/20 0.69
LMNA P02545 2/20 0.69
HSD17B10 Q99714 1/20 0.69
L3MBTL1 Q9Y468 3/20 0.64
ATM Q13315 2/20 0.64
HDAC6 Q9UBN7 1/20 0.64
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 6/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HTT P42858 1/20 0.49
PKM P14618 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48

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
SCHEMBL3976218 0.85 HDAC6 (0.62) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL1161248 0.85 HDAC6 (0.62) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL8861233 0.85 HDAC6 (0.62) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL28506236 0.83 HDAC6 (0.64) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL28490940 0.82 HDAC6 (0.63) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL6837735 0.82 KDM4E (0.69) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL28514107 0.82 HDAC6 (0.63) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL981898 0.81 KDM4E (1.00) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL11331858 0.81 HDAC6 (0.58) KDM4EALDH1A1MAPK1HPGDLMNA
SCHEMBL28499652 0.81 HDAC6 (0.58) KDM4EALDH1A1MAPK1HPGDLMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181724-A Quinoxalinone compounds useful for expanding the lumina or air passages in mammals THE UPJOHN COMPANY (US) 1980-01-01 US claimed
CN-110117260-B Preparation method of 3-alkyl quinoxaline-2 (1H) -ketone compound 湖南科技学院 2020-12-25 CN disclosed
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 US disclosed
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 US disclosed
US-7538109-B2 Quinoxalin-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-05-26 US disclosed
EP-1620409-B1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-01-09 EP disclosed
EP-1620409-B1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-01-09 EP disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 US disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 US disclosed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 US disclosed
EP-1620409-A1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
WO-2004096780-A1 QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096780-A1 QUINOXALINONE-3- ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 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 (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-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R KDM4E 1645/4885ALDH1A1 1096/4885MAPK1 2481/4885

“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.