SCHEMBL12864360

SCHEMBL12864360

CC(OC(=O)c1cc2occc2[nH]1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.45
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP17A1 P05093 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP26A1 O43174 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL12903436 0.89 DAO (0.43) DAOPOLBKDM4ELMNATP53
SCHEMBL12903445 0.86 DAO (0.42) DAOPOLBKDM4ENTRK1GAA
SCHEMBL12864344 0.85 DAO (0.50) DAOPOLBKDM4ELMNATP53
SCHEMBL12864356 0.80 DAO (0.45) DAOPOLBKDM4ELMNATP53
SCHEMBL12903438 0.79 DAO (0.44) DAOPOLBKDM4ELMNATP53
SCHEMBL12864348 0.79 DAO (0.46) DAOPOLBKDM4ELMNATP53
SCHEMBL1171473 0.78 DAO (0.59) DAOPOLBKDM4ELMNATP53
SCHEMBL12864273 0.78 DAO (0.59) DAOPOLBKDM4ELMNATP53
SCHEMBL12903514 0.77 DAO (0.58) DAOPOLBKDM4ELMNATP53
SCHEMBL12864349 0.76 DAO (0.48) DAOPOLBKDM4ELMNATP53

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-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed
WO-2011017634-A2 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACORE INC. (US) 2011-02-10 — — WO disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US disclosed
WO-2010017418-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-11 — — 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-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885POLB 2437/4885KDM4E 2574/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885POLB 2437/4885KDM4E 2574/4885

“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.

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