SCHEMBL1003658

SCHEMBL1003658

COC(=O)c1cc2c([nH]1)CC/C2=C\c1cccc(-c2ccco2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
NR4A2 P43354 1/20 0.39
AXL P30530 1/20 0.39
KEAP1 Q14145 1/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
CFTR P13569 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL1003660 1.00 SLC6A4 (0.41) SLC6A4NR4A2AXLKEAP1SLC6A3
SCHEMBL1006754 0.88 KEAP1 (0.44) SLC6A4KEAP1CFTRKDM4EMEN1
SCHEMBL1006753 0.88 KEAP1 (0.44) SLC6A4KEAP1CFTRKDM4EMEN1
SCHEMBL1004044 0.86 GAA (0.38) SLC6A4NR4A2AXLSLC6A3SLC6A2
SCHEMBL1004042 0.86 GAA (0.38) SLC6A4NR4A2AXLSLC6A3SLC6A2
SCHEMBL1004455 0.83 HDAC2 (0.40) NR4A2
SCHEMBL1004456 0.83 HDAC2 (0.40) NR4A2
SCHEMBL1004479 0.81 CNR1 (0.34) SLC6A3SLC6A2MEN1MAPTKMT2A
SCHEMBL2077042 0.81 CNR1 (0.34) SLC6A3SLC6A2MEN1MAPTKMT2A
SCHEMBL1002792 0.81 MAOA (0.40) KDM4EMEN1MAPTKMT2APOLB

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 3 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
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

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 973/4885NR4A2 4737/4885AXL 3176/4885

“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.