SCHEMBL3986665

SCHEMBL3986665

CCOc1ccccc1NC(=O)N(C(C)c1ccccc1)C(C)c1nc2ccccc2n(CC(N)=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.42
▸ NTRK2 Q16620 3/20 0.42
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ THRB P10828 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3978864 0.91 MAPT (0.49) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3981695 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3979905 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3976197 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3976199 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3981699 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3976204 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3981697 0.88 NTRK1 (0.48) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL8338936 0.86 NTRK1 (0.40) NTRK1NTRK2TP53LMNAKMT2A
SCHEMBL3977922 0.85 NTRK1 (0.41) NTRK1NTRK2TP53LMNAKMT2A

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 9 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
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
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 NTRK1 986/4885NTRK2 545/4885TP53 4882/4885

“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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