SCHEMBL5875478

SCHEMBL5875478

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.58
MAOA P21397 5/20 0.58
MRGPRX4 Q96LA9 1/20 0.58
NR4A2 P43354 2/20 0.50
PARP10 Q53GL7 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN9A Q15858 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
SCHEMBL5875339 0.87 NR4A2 (0.60) MAOBMAOANR4A2PARP10
SCHEMBL6361504 0.87 MEN1 (0.56) MAOBMAOAMEN1KMT2A
SCHEMBL29014488 0.81 MAOB (0.54) MAOBMAOAMRGPRX4NR4A2PARP10
SCHEMBL30401499 0.81 MAOB (0.54) MAOBMAOAMRGPRX4NR4A2PARP10
SCHEMBL2270315 0.80 MEN1 (0.51) MAOBMAOAMEN1KMT2A
SCHEMBL4338716 0.80 MAOB (0.60) MAOBMAOANR4A2PARP10
SCHEMBL26604900 0.80 MEN1 (0.52) MAOBMAOAMEN1KMT2A
SCHEMBL22749344 0.80 MAPT (0.44) MEN1KMT2A
SCHEMBL810582 0.79 MAOB (0.55) MAOBMAOANR4A2PARP10
SCHEMBL3363943 0.78 MAOB (0.57) MAOBMAOANR4A2PARP10

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
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
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 MAOB 1/4885MAOA 2/4885MRGPRX4 1995/4885

“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.