SCHEMBL3981695

SCHEMBL3981695

CCOc1ccccc1NC(=O)N(C(C)c1nc2ccccc2n(C)c1=O)[C@@H](C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.48
▸ NTRK2 Q16620 3/20 0.48
▸ GAA P10253 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL3981697 1.00 NTRK1 (0.48) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3976199 1.00 NTRK1 (0.48) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3976197 1.00 NTRK1 (0.48) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3979905 1.00 NTRK1 (0.48) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3981699 1.00 NTRK1 (0.48) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3976204 1.00 NTRK1 (0.48) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3979093 0.91 NTRK1 (0.45) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3979094 0.91 NTRK1 (0.45) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3979081 0.91 NTRK1 (0.45) NTRK1NTRK2GAASMN1; SMN2LMNA
SCHEMBL3979086 0.91 NTRK1 (0.45) NTRK1NTRK2GAASMN1; SMN2LMNA

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 claimed
EP-1620409-B1 QUINOXALIN-3-ONE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-01-09 — — EP claimed
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-01 — — US claimed
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer Inserm (Institut National de la Santa et de la Recherche Medicale) (FR) 2021-01-19 — — US disclosed
US-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-05-23 — — US disclosed
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-21 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY HCRTR1, HCRTR2, OXTR NTRK1 2074/4885NTRK2 1488/4885GAA 3558/4885
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer OXTR, OGFR, OXGR1 NTRK1 1224/4885NTRK2 928/4885GAA 1971/4885
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR NTRK1 2053/4885NTRK2 1362/4885GAA 2736/4885
US-20070027157-A1 Quinoxalinone-3-one derivatives as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NTRK1 986/4885NTRK2 545/4885GAA 1149/4885

“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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