SCHEMBL1171082

SCHEMBL1171082

O=C(OCC(=O)N1CCOCC1)c1cc2occc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ DAO P14920 2/20 0.48
▸ GLA P06280 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL1171078 0.90 HTT (0.54) RAB9ANPC1ALDH1A1KDM4EDAO
SCHEMBL1170923 0.90 HTT (0.51) RAB9ANPC1ALDH1A1KDM4EDAO
SCHEMBL1171421 0.89 HTT (0.53) RAB9ANPC1TDP1ALDH1A1DAO
SCHEMBL1170878 0.87 DAO (0.47) RAB9APOLBNPC1TDP1ALDH1A1
SCHEMBL1171120 0.82 ATM (0.51) LMNAALDH1A1KDM4EDAOSMN1; SMN2
SCHEMBL1171164 0.80 KMT2A (0.48) POLBLMNAALDH1A1KDM4EDAO
SCHEMBL12864408 0.79 POLB (0.62) RAB9APOLBTDP1ALDH1A1DAO
SCHEMBL13319891 0.78 DAO (0.56) RAB9APOLBNPC1LMNAALDH1A1
SCHEMBL12903430 0.78 DAO (0.56) RAB9APOLBNPC1TDP1LMNA
SCHEMBL12903529 0.78 ALDH1A1 (0.46) LMNAALDH1A1KDM4EDAOSMN1; SMN2

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 RAB9A 2105/4885POLB 2437/4885NPC1 4325/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 RAB9A 2105/4885POLB 2437/4885NPC1 4325/4885

“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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