SCHEMBL6307012

SCHEMBL6307012

C[C@@H](C(N)=O)N1C(=O)c2ccc(O)cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ANPEP P15144 3/20 0.49
DPP4 P27487 3/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ESR1 P03372 7/20 0.47
ESR2 Q92731 4/20 0.47
MAOA P21397 1/20 0.44
UGT1A1 P22309 1/20 0.44
MAOB P27338 1/20 0.44
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6307015 1.00 MEN1 (0.56) MEN1KMT2AANPEPDPP4LMNA
SCHEMBL21976969 0.81 ANPEP (0.55) MEN1KMT2AANPEPDPP4ESR1
SCHEMBL6099472 0.81 LMNA (0.69) KMT2ALMNAHTTALDH1A1
SCHEMBL29923369 0.81 LMNA (0.69) KMT2ALMNAHTTALDH1A1
SCHEMBL22906690 0.78 MEN1 (0.64) MEN1KMT2AANPEPDPP4ESR1
SCHEMBL22906972 0.76 MEN1 (0.68) MEN1KMT2AANPEPDPP4ESR1
SCHEMBL24710720 0.75 ANPEP (0.51) MEN1KMT2AANPEPDPP4ESR1
SCHEMBL10914223 0.75 ANPEP (0.50) MEN1KMT2AANPEPDPP4ESR1
SCHEMBL3503488 0.73 MAOB (0.48) MEN1KMT2AMAOAMAOB
SCHEMBL3503490 0.73 MAOB (0.48) MEN1KMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1277820-C Phthalimido derivatives as inhibitors of monoamine oxidase B HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
CN-1642911-A Phthalimido derivatives as inhibitors of monoamine oxidase B HOFFMANN LA ROCHE (CH) 2005-07-20 CN disclosed
US-6903095-B2 Nitrogen compounds such as 2-(5-(4-Fluoro-benzyloxy)-1,3-dioxo -1,3-dihydro-isoindol-2-yl)-acetamide, used for prophylaxis of Alzheimer's disease; amine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-06-07 US disclosed
EP-1490334-A1 PHTHALIMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE B F. HOFFMANN-LA ROCHE AG (CH) 2004-12-29 EP disclosed
US-20040229871-A1 Phthalimido derivatives and a process for their preparation CESURA ANDREA (CH) 2004-11-18 US disclosed
US-6660736-B2 MAO-B inhibitors HOFFMANN-LA ROCHE INC. 2003-12-09 US disclosed
US-20030195208-A1 PHTHALIMIDO DERIVATIVES AND A PROCESS FOR THEIR PREPARATION HOFFMANN-LA ROCHE INC. 2003-10-16 US disclosed
WO-2003080573-A1 PHTHALIMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE B F. HOFFMANN-LA ROCHE AG (CH) 2003-10-02 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-20030195208-A1 PHTHALIMIDO DERIVATIVES AND A PROCESS FOR THEIR PREPARATION MAOB, MAOA, CYP4B1 MEN1 1030/4885KMT2A 522/4885ANPEP 2291/4885
US-20040229871-A1 Phthalimido derivatives and a process for their preparation MAOB, MAOA, CYP4B1 MEN1 1030/4885KMT2A 522/4885ANPEP 2291/4885

“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.