SCHEMBL1003741

SCHEMBL1003741

COC(=O)c1cc2c([nH]1)CCC2c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.44
GAA P10253 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
CDK8 P49336 1/20 0.39
CDK9 P50750 1/20 0.39
ROCK1 Q13464 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
LMNA P02545 3/20 0.39
NR4A2 P43354 1/20 0.38
EGFR P00533 1/20 0.37
XDH P47989 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPK14 Q16539 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL1006537 0.87 ALDH1A1 (0.40) GAAPDGFRAPRKACAKDRCDK8
SCHEMBL1005518 0.86 TP53 (0.40) SLC6A3SLC6A4SLC6A2XDHMAPK1
SCHEMBL1003507 0.86 PDGFRA (0.40) GAAPDGFRAPRKACAKDRCDK8
SCHEMBL1003019 0.85 KDM4E (0.42) SLC6A3GAASLC6A4SLC6A2LMNA
SCHEMBL1004558 0.81 ATM (0.36) SLC6A3SLC6A4SLC6A2
SCHEMBL1004546 0.81 TSHR (0.44) SLC6A3GAASLC6A4LMNARAB9A
SCHEMBL1003641 0.81 ALDH1A1 (0.43) LMNAKMT2A
SCHEMBL1002919 0.81 SLC6A3 (0.44) SLC6A3GAASLC6A4SLC6A2LMNA
SCHEMBL12951917 0.81 DDB1 (0.45) SLC6A3GAASLC6A4SLC6A2KMT2A
SCHEMBL1004866 0.81 CYP26A1 (0.42) SLC6A3GAASLC6A4SLC6A2LMNA

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 SLC6A3 224/4885GAA 309/4885SLC6A4 973/4885

“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.