SCHEMBL1149682

SCHEMBL1149682

O=C(O)c1cc(CCc2ccc3ccccc3c2)c[nH]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.61
CYP1A2 P05177 1/20 0.53
SOX18 P35713 1/20 0.51
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SLC13A5 Q86YT5 1/20 0.46
PDPK1 O15530 1/20 0.46
DHODH Q02127 1/20 0.45
CA12 O43570 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43

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
SCHEMBL1149656 0.84 DAO (0.73) DAOGAARAB9AHCAR2
SCHEMBL1149257 0.81 KDM4E (0.50) DAOCYP1A2GAARAB9A
SCHEMBL1149736 0.78 DAO (0.64) DAOGAARAB9AHDAC1HDAC8
SCHEMBL1149833 0.77 DAO (0.72) DAOGAARAB9APDPK1
SCHEMBL1149419 0.76 DAO (0.71) DAOGAARAB9ACA12
SCHEMBL1149408 0.76 DAO (0.71) DAOGAARAB9ADHODH
SCHEMBL27680469 0.76 DAO (0.71) DAOGAARAB9A
SCHEMBL679780 0.76 DAO (1.00) DAOGAARAB9ACA12
SCHEMBL1149716 0.76 DAO (0.71) DAOGAARAB9APDPK1
SCHEMBL1149680 0.76 DAO (0.61) DAOGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS SUNOVION PHARMACEUTICALS INC. (US) 2011-04-21 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-7893098-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2011-02-22 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2010-01-21 US disclosed
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-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-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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 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
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
US-7488747-B2 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2009-02-10 US disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 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 (4 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-20110092559-A1 PYRROLE AND PYRAZOLE DAAO INHIBITORS DDO, DAO, SRR DAO 2/4885CYP1A2 3265/4885SOX18 2138/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885CYP1A2 3265/4885SOX18 2138/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR DAO 2/4885CYP1A2 3265/4885SOX18 2138/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885CYP1A2 3265/4885SOX18 2138/4885

“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.