SCHEMBL1149201

SCHEMBL1149201

O=C(O)c1cc(CCCC2CCCC2)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.49
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.39
PKM P14618 2/20 0.38
GPR84 Q9NQS5 1/20 0.37
SLC18A3 Q16572 1/20 0.37
GAA P10253 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13625659 0.81 RAB9A (0.50) DAORAB9ASMN1; SMN2PKMGAA
SCHEMBL1149500 0.81 DAO (0.43) DAOTDP1
SCHEMBL27712207 0.77 MCL1 (0.41) DAORAB9AMCL1GPR84SLC18A3
SCHEMBL7258022 0.74 DAO (0.57) DAORAB9ASMN1; SMN2PKMGAA
SCHEMBL28760413 0.73 RAB9A (0.56) RAB9ASMN1; SMN2PKMGAAMEN1
SCHEMBL1149736 0.73 DAO (0.64) DAORAB9ASMN1; SMN2GAATDP1
SCHEMBL5858576 0.73 DAO (0.55) DAOGPR84MEN1KMT2A
SCHEMBL8390700 0.72 DAO (0.54) DAOGPR84MEN1KMT2A
SCHEMBL9050786 0.72 DAO (0.54) DAOGPR84MEN1KMT2A
SCHEMBL1225699 0.71 DAO (0.60) DAORAB9ASMN1; SMN2PKMGAA

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 10 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-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-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
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 2/4885RAB9A 2111/4885SMN1; SMN2 640/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885RAB9A 2111/4885SMN1; SMN2 640/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR DAO 2/4885RAB9A 2111/4885SMN1; SMN2 640/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR DAO 2/4885RAB9A 2111/4885SMN1; SMN2 640/4885

“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.