SCHEMBL5618072

SCHEMBL5618072

NC(=O)Cn1c(Cc2ccccc2)nc2cc(OCc3cccc(F)c3)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
MAOA P21397 2/20 0.48
PARP10 Q53GL7 1/20 0.47
NR4A2 P43354 2/20 0.45
RCE1 Q9Y256 1/20 0.43
ACHE P22303 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
SCHEMBL3504581 0.86 MAOB (0.51) MAOBMAOAPARP10NR4A2RCE1
SCHEMBL5618173 0.83 MAOB (0.48) MAOBMAOAPARP10
SCHEMBL3503286 0.83 MAOB (0.48) MAOBMAOAPARP10
SCHEMBL3505261 0.81 MAOB (0.52) MAOBMAOAPARP10NR4A2RCE1
SCHEMBL5981828 0.74 MAOB (0.50) MAOBMAOAACHE
SCHEMBL5875358 0.73 KMT2A (0.55) MAOBMAOANR4A2ACHE
Hydrochloric Acid SCHEMBL3504939 0.73 MAOB (0.49) MAOBMAOAACHE
SCHEMBL5617591 0.72 MAOB (0.45) MAOBMAOAACHE
SCHEMBL3508303 0.71 MAOB (0.49) MAOBMAOAACHE
SCHEMBL3507262 0.70 MAOB (0.52) MAOBMAOAPARP10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-7087612-B2 Amine oxidase inhibitor; therapy for Alzheimer's diseases, Parkinson's disease HOFFMANN-LA ROCHE INC. (US) 2006-08-08 US claimed
US-20040142951-A1 3H-quinazolin-4-one derivatives as MAO-B inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 US claimed
CN-100418954-C 3h-quinazolin-4-one derivatives HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO 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 (2 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885PARP10 833/4885
US-20040142951-A1 3H-quinazolin-4-one derivatives as MAO-B inhibitors MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885PARP10 1236/4885

“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.