SCHEMBL3979892

SCHEMBL3979892

CCOC(=O)Cn1c(=O)c(C(C)NC(C)c2ccccc2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 9/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ ALDH1A1 P00352 9/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ MMP9 P14780 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL3976739 0.84 KDM4E (0.61) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL28287010 0.78 KDM4E (0.78) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3985244 0.76 KDM4E (0.45) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3978864 0.76 MAPT (0.49) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3976738 0.76 KDM4E (0.65) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3977899 0.75 KDM4E (0.50) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3976248 0.75 KDM4E (0.50) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3976250 0.75 KDM4E (0.50) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3978940 0.75 KDM4E (0.50) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3978947 0.75 KDM4E (0.50) MAPTKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 2906/4885KDM4E 1645/4885HSD17B10 1669/4885

“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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