SCHEMBL5875358

SCHEMBL5875358

O=c1[nH]c(Cc2ccccc2)nc2cc(OCc3cccc(F)c3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
PARP14 Q460N5 1/20 0.54
MAOB P27338 6/20 0.52
MAOA P21397 3/20 0.52
ACHE P22303 1/20 0.49
RAB9A P51151 1/20 0.49
PDE5A O76074 1/20 0.47
NR4A2 P43354 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL5875302 0.86 MAOB (0.55) MAOBMAOAACHERAB9A
SCHEMBL5875466 0.82 MAOB (0.50) MAOBMAOAACHE
SCHEMBL5875376 0.80 PARP14 (0.48) PARP14MAOBMAOAACHENR4A2
SCHEMBL5875474 0.78 IP6K1 (0.60) MAOBMAOAACHENR4A2
SCHEMBL23882569 0.77 RAB9A (0.73) KMT2APARP14RAB9AHCAR2
SCHEMBL400983 0.77 PDE5A (0.76) KMT2AMAOBPDE5AHCAR2
SCHEMBL20564672 0.74 KMT2A (0.73) KMT2AMAOBRAB9A
SCHEMBL5618072 0.73 MAOB (0.48) MAOBMAOAACHENR4A2
SCHEMBL9178009 0.73 KMT2A (1.00) KMT2AMAOBRAB9A
SCHEMBL163809 0.73 BRD4 (0.55) KMT2APARP14MAOBMAOANR4A2

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 KMT2A 518/4885PARP14 718/4885MAOB 1/4885

“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.