SCHEMBL12864408

SCHEMBL12864408

O=C(c1cc2occc2[nH]1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ DAO P14920 1/20 0.58
▸ HRH3 Q9Y5N1 7/20 0.46
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SYK P43405 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ DNMT1 P26358 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL12864399 0.87 DAO (0.59) POLBSMN1; SMN2DAOHRH3HPGD
SCHEMBL605730 0.84 HRH4 (0.60) DAOHRH3HRH4
SCHEMBL12864393 0.82 DAO (0.55) POLBSMN1; SMN2DAOKMT2AALDH1A1
SCHEMBL1171082 0.79 RAB9A (0.51) POLBSMN1; SMN2DAOHPGDALDH1A1
SCHEMBL3253717 0.77 POLB (1.00) POLBSMN1; SMN2HRH3ALDH1A1HRH4
SCHEMBL1171120 0.76 ATM (0.51) SMN1; SMN2DAOHPGDKMT2AALDH1A1
SCHEMBL12864401 0.75 DAO (0.52) POLBSMN1; SMN2DAOHRH3KMT2A
SCHEMBL2770082 0.74 HRH4 (0.71) POLBSMN1; SMN2HRH3KMT2AHRH4
SCHEMBL13319933 0.74 DAO (0.51) POLBSMN1; SMN2DAOHRH3KMT2A
SCHEMBL679809 0.74 DAO (1.00) POLBSMN1; SMN2DAOHPGDKMT2A

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 POLB 2437/4885SMN1; SMN2 1880/4885DAO 2/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 POLB 2437/4885SMN1; SMN2 1880/4885DAO 2/4885

“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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