SCHEMBL1005339

SCHEMBL1005339

O=C(O)c1cc2c([nH]1)C(c1cccc(Cl)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MDM2 Q00987 1/20 0.37
HTT P42858 2/20 0.37
SLC6A3 Q01959 2/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL1006816 0.88 SLC6A3 (0.44) LMNATP53ABCB1ABCG2MDM2
SCHEMBL1003858 0.85 F7 (0.41) LMNATP53HCAR2F7F3
SCHEMBL2076913 0.84 MEN1 (0.42) HCAR2KDM4EMEN1HPGDKMT2A
SCHEMBL2074417 0.84 HCAR2 (0.39) LMNAHCAR2SLC6A3KDM4EMEN1
SCHEMBL1004659 0.81 DRD2 (0.41) HCAR2ABCB1ABCG2KMT2A
SCHEMBL1005502 0.81 TP53 (0.39) LMNATP53F7F3ABCB1
SCHEMBL1004534 0.80 ABCB1 (0.36) LMNAHCAR2ABCB1ABCG2SLC6A3
SCHEMBL1004426 0.78 HCAR2 (0.43) TP53HCAR2KDM4EMEN1HPGD
SCHEMBL2077036 0.77 PIN1 (0.41) TP53HCAR2ABCG2KDM4EMEN1
SCHEMBL1005081 0.76 CNR2 (0.44) HCAR2

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 7 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
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 LMNA 4552/4885TP53 2633/4885HCAR2 2765/4885

“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.