SCHEMBL5875436

SCHEMBL5875436

[O-][n+]1cc2ccc(OCc3cccc(F)c3)cc2nc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 18/20 0.47
GRM5 P41594 1/20 0.41
MAOA P21397 5/20 0.41
NR4A2 P43354 2/20 0.40
PARP10 Q53GL7 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
SCHEMBL5875468 0.82 MAOB (0.53) MAOBMAOANR4A2PARP10
SCHEMBL16047504 0.70 MAOB (0.60) MAOBMAOANR4A2PARP10
SCHEMBL5875376 0.69 PARP14 (0.48) MAOBGRM5MAOANR4A2
SCHEMBL27521276 0.66 MAOB (0.77) MAOBMAOANR4A2PARP10
SCHEMBL13463304 0.66 CYP3A4 (0.56) MAOBMAOANR4A2PARP10
SCHEMBL20377567 0.65 MAOB (0.59) MAOBMAOANR4A2PARP10
SCHEMBL16047468 0.65 MAOB (0.68) MAOBGRM5MAOANR4A2PARP10
SCHEMBL31094217 0.65 MAOB (0.57) MAOBMAOANR4A2PARP10
SCHEMBL20377549 0.65 NR4A2 (0.65) MAOBMAOANR4A2PARP10
SCHEMBL12735859 0.65 MAOB (0.50) 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 1/4885GRM5 1819/4885MAOA 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.