SCHEMBL6445857

SCHEMBL6445857

COC(=O)Cc1cccc(OCc2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.61
NR4A2 P43354 1/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56
CASP6 P55212 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.54
MAOA P21397 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
SLC2A1 P11166 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL2848161 0.89 MAOB (0.60) MAOBNR4A2KMT2AMEN1ALDH1A1
SCHEMBL5090803 0.85 NR4A2 (0.68) MAOBNR4A2KMT2AMEN1ALDH1A1
SCHEMBL5090748 0.84 MAOB (0.63) MAOBNR4A2KMT2AMEN1ALDH1A1
SCHEMBL3567492 0.84 HSP90AB1 (0.58) MAOBNR4A2KMT2AMEN1ALDH1A1
SCHEMBL13118128 0.81 MRGPRX4 (0.56) MAOBNR4A2ALDH1A1THRBRAB9A
SCHEMBL2968381 0.81 MEN1 (0.49) MAOBNR4A2KMT2AMEN1ALDH1A1
SCHEMBL12746034 0.81 NR4A2 (0.58) MAOBNR4A2MRGPRX4
SCHEMBL2767480 0.80 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL16710633 0.80 MAOB (0.71) MAOBNR4A2KMT2AMEN1ALDH1A1
SCHEMBL6415086 0.80 MAOB (0.75) MAOBNR4A2KMT2AMRGPRX4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NR4A2 1590/4885KMT2A 523/4885

“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.