SCHEMBL13625763

SCHEMBL13625763

CC(=O)c1cc(CCc2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.54
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.40
EPHX2 P34913 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
COPS5 Q92905 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
NLRP1 Q9C000 1/20 0.39
PDPK1 O15530 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38

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
SCHEMBL1149212 0.87 DAO (0.71) DAOERCC1ERCC4HPGDCNR1
SCHEMBL13625764 0.84 DAO (0.74) DAOLMNAGAAMEN1KMT2A
SCHEMBL1149801 0.83 DAO (0.48) DAOLMNAMAPK1NLRP1ALDH1A1
SCHEMBL1149759 0.74 DAO (0.59) DAOHPGDLMNAGAAMAPK1
SCHEMBL1150028 0.71 HTT (0.43) DAOLMNAMAPK1ALDH1A1MAPT
SCHEMBL11621292 0.71 IDO1 (0.65) DAOCNR1MAPK1HTTSMN1; SMN2
SCHEMBL30799277 0.71 PDPK1 (0.54) HPGDCNR1GAAMAPK1PDPK1
SCHEMBL1404936 0.71 PDPK1 (0.54) HPGDCNR1GAAMAPK1PDPK1
SCHEMBL679780 0.70 DAO (1.00) DAOTAAR1GAAMEN1KMT2A
SCHEMBL9591185 0.69 IDO1 (0.54) HPGDCNR1TAAR1MAPK1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885ERCC1 4606/4885ERCC4 4557/4885

“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.