SCHEMBL3977907

SCHEMBL3977907

O=Cc1nc2ccccc2[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.66
▸ KMT2A Q03164 5/20 0.66
▸ NPC1 O15118 5/20 0.66
▸ RAB9A P51151 5/20 0.66
▸ ALDH1A1 P00352 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ MAPK10 P53779 6/20 0.62
▸ FGFR1 P11362 2/20 0.60
▸ HPGD P15428 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ FGFR3 P22607 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PLAUR Q03405 1/20 0.58
▸ GLA P06280 1/20 0.57
▸ MGAM O43451 1/20 0.56
▸ HTT P42858 1/20 0.54

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
SCHEMBL29953857 1.00 KDM4E (0.66) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL28023165 0.84 KDM4E (0.64) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL28465286 0.80 KMT2A (1.00) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL1898286 0.77 NPC1 (0.63) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL1898285 0.77 NPC1 (0.63) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL6936350 0.75 RAB9A (0.78) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL7105109 0.75 RAB9A (0.78) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL376644 0.75 ALDH1A1 (0.59) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL29641181 0.75 ALDH1A1 (0.59) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL11365151 0.74 PLAUR (0.53) KDM4EKMT2ANPC1RAB9AALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 — — EP disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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
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
CN-1780820-A Quinoxalinone-3- one derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-05-31 — — CN 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
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 1645/4885KMT2A 2120/4885NPC1 1619/4885

“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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