SCHEMBL1003069

SCHEMBL1003069

O=C(O)c1cc2c([nH]1)CCC2c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
KDR P35968 1/20 0.38
CDK8 P49336 1/20 0.38
CDK9 P50750 1/20 0.38
ROCK1 Q13464 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HNF4A P41235 1/20 0.37
SRD5A2 P31213 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.35

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) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1003507 0.86 PDGFRA (0.40) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1007331 0.82 PIN1 (0.40) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL2075617 0.82 F7 (0.40) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1004349 0.77 HCAR2 (0.37) ALOX15HCAR2
SCHEMBL12777445 0.76 DDB1 (0.44) SRD5A2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1003853 0.76 DDB1 (0.44) SRD5A2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1005502 0.76 TP53 (0.39) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL2075976 0.76 MEN1 (0.39) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1003740 0.76 KDM4E (0.38) PDGFRAPRKACAKDRCDK8CDK9

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 PDGFRA 3987/4885PRKACA 1436/4885KDR 4851/4885

“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.