SCHEMBL4417632

SCHEMBL4417632

CC(NCCc1cc(OCc2ccc(F)cc2)ccc1I)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.52
MAOA P21397 4/20 0.52
SCN9A Q15858 2/20 0.52
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL4425619 1.00 MAOB (0.52) MAOBMAOASCN9APARP10
SCHEMBL4417634 1.00 MAOB (0.52) MAOBMAOASCN9APARP10
SCHEMBL4423605 0.91 ADAMTS4 (0.44) MAOBMAOASCN9APARP10
SCHEMBL4423607 0.91 ADAMTS4 (0.44) MAOBMAOASCN9APARP10
SCHEMBL4420908 0.88 MAOB (0.42) MAOBMAOASCN9APARP10
SCHEMBL4420911 0.88 MAOB (0.42) MAOBMAOASCN9APARP10
SCHEMBL4415983 0.87 MAOB (0.44) MAOBMAOASCN9APARP10
SCHEMBL4429665 0.87 MAOB (0.44) MAOBMAOASCN9APARP10
SCHEMBL4415984 0.87 MAOB (0.44) MAOBMAOASCN9APARP10
SCHEMBL7066627 0.84 MAOB (0.44) MAOBMAOASCN9APARP10

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
EP-1501804-B1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
CN-1310890-C Isoquinoline derivatives HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
CN-1649844-A Isoquinoline derivatives HOFFMANN LA ROCHE (CH) 2005-08-03 CN 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 2/4885SCN9A 1493/4885

“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.