SCHEMBL5875339

SCHEMBL5875339

O=C(O)c1ccc(OCc2cccc(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.60
MAOB P27338 11/20 0.58
MAOA P21397 3/20 0.58
PARP10 Q53GL7 1/20 0.52
PPARA Q07869 1/20 0.48
GSK3B P49841 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL6665583 0.87 MAOB (0.55) NR4A2MAOBBACE1
SCHEMBL5875478 0.87 MAOB (0.58) NR4A2MAOBMAOAPARP10
SCHEMBL27634590 0.84 NR4A2 (0.59) NR4A2MAOBMAOAPARP10PPARA
SCHEMBL6306323 0.83 NR4A2 (0.70) NR4A2MAOBMAOAPARP10PPARA
SCHEMBL4424360 0.83 MAOB (0.80) NR4A2MAOBMAOAPARP10PPARA
SCHEMBL4338716 0.83 MAOB (0.60) NR4A2MAOBMAOAPARP10
SCHEMBL810582 0.81 MAOB (0.55) NR4A2MAOBMAOAPARP10
SCHEMBL30152219 0.81 MAOB (0.57) NR4A2MAOBMAOAPARP10
SCHEMBL3363943 0.81 MAOB (0.57) NR4A2MAOBMAOAPARP10
SCHEMBL5875467 0.80 NR4A2 (0.65) NR4A2MAOBMAOAPARP10PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100418954-C 3h-quinazolin-4-one derivatives HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
EP-1572666-B1 3H-QUINAZOLIN-4-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-09 EP disclosed
US-7087612-B2 Amine oxidase inhibitor; therapy for Alzheimer's diseases, Parkinson's disease HOFFMANN-LA ROCHE INC. (US) 2006-08-08 US disclosed
CN-1720237-A 3h-quinazolin-4-one derivatives HOFFMANN LA ROCHE (CH) 2006-01-11 CN disclosed
EP-1572666-A1 3H-QUINAZOLIN-4-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040142951-A1 3H-quinazolin-4-one derivatives as MAO-B inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 US disclosed
WO-2004054985-A1 3H-QUINAZOLIN-4-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-01 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-20040142951-A1 3H-quinazolin-4-one derivatives as MAO-B inhibitors MAOB, MAOA, COMT NR4A2 2124/4885MAOB 1/4885MAOA 2/4885

“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.