SCHEMBL3985128

SCHEMBL3985128

Cn1c(=O)c(CNC(CO)c2ccccc2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.54
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
MAN2B1 O00754 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3985125 1.00 HDAC6 (0.54) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8338655 0.91 HDAC6 (0.52) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3980138 0.91 HDAC6 (0.52) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3980135 0.91 HDAC6 (0.52) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3976752 0.86 HDAC6 (0.49) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3976749 0.86 HDAC6 (0.49) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3977550 0.84 HDAC6 (0.54) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3977544 0.84 HDAC6 (0.54) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3981485 0.84 HDAC6 (0.54) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3979744 0.77 HDAC6 (0.52) HDAC6KDM4EALDH1A1SMN1; SMN2HPGD

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.