SCHEMBL4420232

SCHEMBL4420232

COC(=O)Cc1cc(OCc2ccc(F)cc2)ccc1I

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
MAOA P21397 1/20 0.51
APP P05067 1/20 0.48
NR4A2 P43354 2/20 0.47
PARP10 Q53GL7 1/20 0.46
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4418983 0.86 NR4A2 (0.54) MAOBMAOAAPPNR4A2PARP10
SCHEMBL6444284 0.85 MAOB (0.51) MAOBMAOANR4A2PARP10FFAR1
SCHEMBL4419540 0.84 MAOB (0.56) MAOBMAOANR4A2FFAR1LMNA
SCHEMBL4418643 0.83 MAOB (0.49) MAOBMAOANR4A2PARP10FFAR1
SCHEMBL5090748 0.81 MAOB (0.63) MAOBMAOAAPPNR4A2PARP10
SCHEMBL27542544 0.81 MAOB (0.55) MAOBMAOAAPPNR4A2PARP10
SCHEMBL4415949 0.81 MAOB (0.50) MAOBMAOAPARP10
SCHEMBL4415945 0.81 MAOB (0.50) MAOBMAOAPARP10
SCHEMBL4419591 0.81 MAOB (0.50) MAOBMAOAPARP10
SCHEMBL4418635 0.80 MAOB (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501804-B1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
EP-1501804-A1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-6818774-B2 2-(S)-(6-(4-FLUORO-BENZYLOXY)-3-OXO-3,4-DIHYDRO-1H-ISOQUINOLIN -2-YL)- PROPIONAMIDE FOR EXAMPLE; ALZHEIMER'S DISEASE OR SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-11-16 US disclosed
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003091219-A1 ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia MAOB, MAOA, BACE2 MAOB 1/4885MAOA 2/4885APP 8/4885

“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.