SCHEMBL6440001

SCHEMBL6440001

O=C(OCc1cccc(F)c1)c1ccc(OCc2cccc(F)c2)cc1C(=O)OCc1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.64
MAOA P21397 3/20 0.64
NR4A2 P43354 2/20 0.59
PARP10 Q53GL7 1/20 0.58
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
STAT1 P42224 1/20 0.55
RAB9A P51151 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.54
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52

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
SCHEMBL6306364 0.85 MAOB (0.62) MAOBMAOANR4A2PARP10KDM4E
SCHEMBL7373666 0.84 ALDH1A1 (0.61) MAOBNR4A2PARP10RAB9A
SCHEMBL6306323 0.83 NR4A2 (0.70) MAOBMAOANR4A2PARP10
SCHEMBL4424360 0.81 MAOB (0.80) MAOBMAOANR4A2PARP10MRGPRX4
SCHEMBL2989798 0.78 MAOB (0.57) MAOBMAOANR4A2PARP10MRGPRX4
SCHEMBL5875467 0.77 NR4A2 (0.65) MAOBMAOANR4A2PARP10
SCHEMBL12998987 0.77 NR4A2 (0.65) MAOBMAOANR4A2PARP10MRGPRX4
SCHEMBL12998983 0.77 NR4A2 (0.65) MAOBMAOANR4A2PARP10MRGPRX4
SCHEMBL4427972 0.77 MAOB (0.71) MAOBMAOANR4A2PARP10
SCHEMBL6440009 0.76 NR4A2 (0.53) MAOBMAOANR4A2PARP10MRGPRX4

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-1539694-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
US-6846832-B2 2,3-dihydro-isoindol-1-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-25 US disclosed
US-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives HOFFMANN-LA ROCHE INC. 2004-04-29 US disclosed
WO-2004014856-A1 2,3-DIHYDRO-ISOINDOL-1-ONES WITH MAO-B INHIBITING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 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-20040082603-A1 2,3-Dihydro-isoindol-1-one derivatives MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885NR4A2 1364/4885

“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.