SCHEMBL3979903

SCHEMBL3979903

COC[C@H](N[C@@H](C)c1nc2ccccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 5/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 2/20 0.40
BAZ2A Q9UIF9 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
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
SCHEMBL3979900 1.00 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3985056 1.00 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL8338058 1.00 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL8334740 1.00 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3986398 1.00 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3978940 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3976250 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3977899 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3976248 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3978947 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD

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 KDM4E 1645/4885ALDH1A1 1096/4885SMN1; SMN2 4597/4885

“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.