SCHEMBL1004547

SCHEMBL1004547

COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
PRMT6 Q96LA8 1/20 0.43
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
NR4A2 P43354 1/20 0.36
AXL P30530 1/20 0.36
KEAP1 Q14145 1/20 0.35
PSMB5 P28074 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1007274 0.88 KEAP1 (0.43) SLC6A4PRMT6KDM4EALDH1A1POLB
SCHEMBL1004070 0.86 MMP2 (0.42) SLC6A3KDM4EALDH1A1GAANR4A2
SCHEMBL1004674 0.83 ESR1 (0.41) SLC6A3KMT2A
SCHEMBL1003793 0.83 MMP1 (0.35) SLC6A3
SCHEMBL2075046 0.82 ESR1 (0.33) SLC6A3ALDH1A1
SCHEMBL1003014 0.82 MMP2 (0.39) KDM4EALDH1A1POLBGAAHPGD
SCHEMBL1004824 0.81 ALDH1A1 (0.41) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL2077322 0.81 HCRTR1 (0.43) PRMT6KDM4ENR4A2MMP13
SCHEMBL1005233 0.81 ESR1 (0.37) ALDH1A1POLBGAAGLA
SCHEMBL1005383 0.81 MMP1 (0.41) KDM4EPOLBGAACYP1A2TSHR

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 SLC6A4 973/4885PRMT6 332/4885SLC6A3 224/4885

“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.