SCHEMBL1170846

SCHEMBL1170846

O=C(CCCN1CCOCC1)OCCOC(=O)c1cc2occc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ TNF P01375 2/20 0.41
▸ DAO P14920 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12903529 0.94 ALDH1A1 (0.46) ALDH1A1SIGMAR1KDM4EGAAPKM
SCHEMBL1171060 0.90 SIGMAR1 (0.44) SIGMAR1HRH3DAO
SCHEMBL1171120 0.88 ATM (0.51) ALDH1A1KDM4EGAAPKMDAO
SCHEMBL1171164 0.88 KMT2A (0.48) ALDH1A1SIGMAR1KDM4EGAAPKM
SCHEMBL12864229 0.85 DAO (0.43) ALDH1A1SIGMAR1KDM4EHRH3ACHE
SCHEMBL12864231 0.84 DAO (0.42) SIGMAR1HRH3DAO
SCHEMBL13319892 0.81 DAO (0.40) ALDH1A1KDM4EHRH3ACHEDAO
SCHEMBL1171028 0.81 DAO (0.48) ALDH1A1KDM4EGAAACHEDAO
SCHEMBL1171173 0.79 DAO (0.63) ALDH1A1KDM4EGAAHRH3DAO
SCHEMBL12864199 0.79 KDM4E (0.48) ALDH1A1SIGMAR1KDM4EHRH3DAO

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 9 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
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
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
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 ALDH1A1 350/4885SIGMAR1 615/4885KDM4E 2574/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 ALDH1A1 350/4885SIGMAR1 615/4885KDM4E 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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