SCHEMBL1004484

SCHEMBL1004484

COC(=O)c1cc2c([nH]1)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.39
XDH P47989 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
SERPINH1 P50454 1/20 0.36
USP2 O75604 1/20 0.35
CHEK1 O14757 1/20 0.35
MET P08581 1/20 0.35
GSK3B P49841 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ULK1 O75385 1/20 0.35
BAZ2B Q9UIF8 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
SCHEMBL1005769 0.90 TSHR (0.49) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1003932 0.83 ALDH1A1 (0.45) GLAGAAKDM4EMAPTL3MBTL1
SCHEMBL1004062 0.82 CYP1A2 (0.44) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL18044524 0.82 KDM4E (0.46) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1005211 0.81 CYP1A2 (0.42) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1004412 0.79 ALOX15 (0.47) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1003840 0.76 CYP1A2 (0.39) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1003839 0.76 CYP1A2 (0.39) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL2074193 0.76 CYP1A2 (0.39) CYP1A2GLAGAAKDM4EMAPT
SCHEMBL1004657 0.76 CYP1A2 (0.39) CYP1A2GLAGAAKDM4EMAPT

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 11 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
EP-2074092-A2 INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-07-01 EP disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 US disclosed
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 WO 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885GLA 748/4885GAA 309/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885GLA 748/4885GAA 309/4885

“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.