SCHEMBL1007305

SCHEMBL1007305

O=C(O)c1cc2c([nH]1)CCC2Cc1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
DAO P14920 1/20 0.38
SRD5A2 P31213 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 1/20 0.36
KCNH2 Q12809 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL12777445 0.87 DDB1 (0.44) HSD17B10HPGDKDM4EMAPTDAO
SCHEMBL1003853 0.87 DDB1 (0.44) HSD17B10HPGDKDM4EMAPTDAO
SCHEMBL1005032 0.86 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL1006534 0.85 CYP26A1 (0.46) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2077165 0.83 MMP1 (0.41) DAOSRD5A2
SCHEMBL1004613 0.82 KDM5A (0.37) ALDH1A1HCAR2SIGMAR1
SCHEMBL1005295 0.82 PPARD (0.35) MEN1KMT2ALMNA
SCHEMBL1006811 0.82 KDM4A (0.37) SIGMAR1
SCHEMBL1003668 0.81 ESR1 (0.38)
SCHEMBL1007006 0.81 ESR1 (0.38) HSD17B10HPGDKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HSD17B10 1605/4885HPGD 624/4885KDM4E 1859/4885

“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.