SCHEMBL1005502

SCHEMBL1005502

O=C(O)c1cc2c([nH]1)CCC2c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MDM2 Q00987 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ADRA1A P35348 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL1002919 0.86 SLC6A3 (0.44) TP53LMNAGAANPSR1MDM2
SCHEMBL2075617 0.85 F7 (0.40) TP53LMNAF7F3PDGFRA
SCHEMBL1003740 0.85 KDM4E (0.38) LMNAPDGFRAPRKACAKDRCDK8
SCHEMBL2075976 0.85 MEN1 (0.39) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1007432 0.81 DRD2 (0.40) HTTPDGFRAPRKACAKDRCDK8
SCHEMBL1004349 0.81 HCAR2 (0.37) SLC6A3ABCB1ABCG2BLM
SCHEMBL1005339 0.81 LMNA (0.42) TP53LMNAHTTF7F3
SCHEMBL1003507 0.79 PDGFRA (0.40) TP53GAAPDGFRAPRKACAKDR
SCHEMBL1007331 0.77 PIN1 (0.40) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL1005137 0.77 ESR1 (0.42) LMNAMEN1KMT2A

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 TP53 2633/4885LMNA 4552/4885HTT 1992/4885

“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.