SCHEMBL6308693

SCHEMBL6308693

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ANPEP P15144 3/20 0.47
DPP4 P27487 3/20 0.47
ESR2 Q92731 4/20 0.45
MAOA P21397 1/20 0.42
UGT1A1 P22309 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6308700 1.00 ESR1 (0.48) ESR1MEN1KMT2AANPEPDPP4
SCHEMBL24710720 0.83 ANPEP (0.51) ESR1MEN1KMT2AANPEPDPP4
SCHEMBL10914223 0.83 ANPEP (0.50) ESR1MEN1KMT2AANPEPDPP4
SCHEMBL16487855 0.81 ALDH1A1 (0.63) MEN1KMT2AALDH1A1TDP1CYP2D6
SCHEMBL4626053 0.80 TDP1 (0.59) ALDH1A1TDP1GAAMAPTRAB9A
SCHEMBL11914467 0.80 TDP1 (0.59) ALDH1A1TDP1GAAMAPTRAB9A
SCHEMBL22893524 0.80 TDP1 (0.42) MEN1KMT2AALDH1A1TDP1NPC1
SCHEMBL9933904 0.80 TDP1 (0.59) ALDH1A1TDP1GAAMAPTRAB9A
SCHEMBL21976969 0.79 ANPEP (0.55) ESR1MEN1KMT2AANPEPDPP4
SCHEMBL16487856 0.77 TDP1 (0.36) MEN1KMT2AALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR1 2616/4885MEN1 1030/4885KMT2A 522/4885
US-20040229871-A1 Phthalimido derivatives and a process for their preparation MAOB, MAOA, CYP4B1 ESR1 2616/4885MEN1 1030/4885KMT2A 522/4885

“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.