SCHEMBL3976752

SCHEMBL3976752

COCC(NCc1nc2ccccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 4/20 0.40
POLB P06746 2/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR3 P29371 1/20 0.39

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
SCHEMBL3976749 1.00 HDAC6 (0.49) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3985128 0.86 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3985125 0.86 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8338655 0.84 HDAC6 (0.52) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3980135 0.84 HDAC6 (0.52) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3980138 0.84 HDAC6 (0.52) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3977550 0.82 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3981485 0.82 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3977544 0.82 HDAC6 (0.54) HDAC6KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3979900 0.79 KDM4E (0.42) HDAC6KDM4EALDH1A1HPGDSMN1; 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 5 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
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
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 HDAC6 1300/4885KDM4E 1645/4885ALDH1A1 1096/4885

“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.