SCHEMBL5875474

SCHEMBL5875474

O=c1[nH]cnc2cc(OCc3cccc(F)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.60
MAOB P27338 12/20 0.52
ACHE P22303 1/20 0.52
MAOA P21397 4/20 0.50
NR4A2 P43354 1/20 0.48
PARP1 P09874 1/20 0.48

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
SCHEMBL5875318 0.86 IP6K1 (0.61) IP6K1MAOBACHEMAOAPARP1
SCHEMBL1012325 0.86 IP6K1 (0.80) IP6K1MAOBACHEMAOAPARP1
SCHEMBL5875302 0.80 MAOB (0.55) MAOBACHEMAOA
SCHEMBL7450965 0.80 IP6K1 (0.62) IP6K1MAOBACHEMAOAPARP1
SCHEMBL5875466 0.78 MAOB (0.50) MAOBACHEMAOA
SCHEMBL5875358 0.78 KMT2A (0.55) MAOBACHEMAOANR4A2
SCHEMBL5875376 0.77 PARP14 (0.48) MAOBACHEMAOANR4A2
SCHEMBL5617838 0.76 MAOB (0.50) MAOBACHEMAOANR4A2
SCHEMBL24819 0.75 PARP1 (0.74) IP6K1PARP1
SCHEMBL29967106 0.75 PARP1 (0.74) IP6K1PARP1

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 IP6K1 3928/4885MAOB 1/4885ACHE 62/4885

“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.