SCHEMBL5875376

SCHEMBL5875376

O=c1[nH]c(C2CC2)nc2cc(OCc3cccc(F)c3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.48
MAOB P27338 11/20 0.46
MAOA P21397 4/20 0.46
ACHE P22303 1/20 0.46
GRM5 P41594 1/20 0.45
KCNH2 Q12809 1/20 0.42
NR4A2 P43354 1/20 0.42

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 0.83 MAOB (0.55) MAOBMAOAACHE
SCHEMBL5875466 0.81 MAOB (0.50) MAOBMAOAACHE
SCHEMBL5875358 0.80 KMT2A (0.55) PARP14MAOBMAOAACHENR4A2
SCHEMBL5875474 0.77 IP6K1 (0.60) MAOBMAOAACHENR4A2
SCHEMBL3503286 0.74 MAOB (0.48) MAOBMAOAKCNH2
SCHEMBL5618440 0.74 MAOB (0.43) MAOBMAOAACHEGRM5KCNH2
SCHEMBL5617591 0.73 MAOB (0.45) MAOBMAOAACHE
SCHEMBL29499002 0.72 PARP14 (0.48) PARP14
SCHEMBL7710641 0.71 PARP14 (0.47) PARP14KCNH2
SCHEMBL5875436 0.69 MAOB (0.47) MAOBMAOAGRM5NR4A2

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 PARP14 718/4885MAOB 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.