SCHEMBL12864199

SCHEMBL12864199

O=C(OCCN1CCCCC1)c1cc2occc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ DAO P14920 2/20 0.48
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ FLT3 P36888 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
SCHEMBL12864229 0.90 DAO (0.43) KDM4EKMT2AMEN1DAOTSHR
SCHEMBL1171120 0.89 ATM (0.51) KDM4EKMT2ADAOALDH1A1CYP1A2
SCHEMBL1171173 0.83 DAO (0.63) KDM4EKMT2AMEN1DAOALDH1A1
SCHEMBL1171421 0.82 HTT (0.53) KMT2ADAOALDH1A1
SCHEMBL1171078 0.81 HTT (0.54) KDM4EDAOALDH1A1HPGD
SCHEMBL12903529 0.80 ALDH1A1 (0.46) KDM4EKMT2ADAOALDH1A1SIGMAR1
SCHEMBL12864231 0.80 DAO (0.42) DAOSIGMAR1HRH3
SCHEMBL1170929 0.79 DAO (0.58) KDM4EKMT2AMEN1DAOALDH1A1
SCHEMBL1171073 0.79 DAO (0.43) KMT2AMEN1DAOALDH1A1SIGMAR1
SCHEMBL12864221 0.79 ALDH1A1 (0.41) KDM4EKMT2AMEN1DAOTSHR

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 2 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-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 (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 KDM4E 2574/4885KMT2A 1503/4885MEN1 3633/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 KDM4E 2574/4885KMT2A 1503/4885MEN1 3633/4885

“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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