SCHEMBL13319927

SCHEMBL13319927

CCCNC(=O)c1cc2occc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.56
▸ ALOX15 P16050 4/20 0.54
▸ POLB P06746 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTR2C P28335 1/20 0.42
▸ GPR84 Q9NQS5 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL12904064 0.87 DAO (0.58) DAOALOX15POLBDRD2DRD3
SCHEMBL13319915 0.83 DAO (0.50) DAOALOX15POLBDRD2DRD3
SCHEMBL12904065 0.81 DAO (0.62) DAOALOX15POLBKDM4EGAA
SCHEMBL2406834 0.80 DAO (0.65) DAOALOX15POLBGAAKMT2A
SCHEMBL1170958 0.80 DAO (0.56) DAOALOX15POLBDRD2DRD3
SCHEMBL12904066 0.79 DAO (0.67) DAOALOX15POLBKDM4EGAA
SCHEMBL14985370 0.78 HTT (0.53) POLBGAAALDH1A1MAPTLMNA
SCHEMBL12864416 0.78 DAO (0.61) DAOALOX15POLBGAAALDH1A1
SCHEMBL12880134 0.77 DAO (0.59) DAOALOX15POLBKDM4EGAA
SCHEMBL12864395 0.75 DAO (0.71) DAOPOLBKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 — — US 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 (1 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 2/4885ALOX15 234/4885POLB 2437/4885

“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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