SCHEMBL1004094

SCHEMBL1004094

O=C(O)c1cc2c([nH]1)CCCC2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CDKN1A P38936 1/20 0.35
SRD5A2 P31213 3/20 0.35
KDM4E B2RXH2 2/20 0.35
DAO P14920 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
GBA1 P04062 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 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
SCHEMBL1003853 0.92 DDB1 (0.44) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL12777445 0.92 DDB1 (0.44) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL1004812 0.87 ALDH1A1 (0.39) KDRESR1ESR2DDB1CRBN
SCHEMBL1006534 0.85 CYP26A1 (0.46) ESR1ESR2DDB1CRBNPTGS1
SCHEMBL2074484 0.85 RAB9A (0.42) KDRKMT2AKDM4EHPGDHSD17B10
SCHEMBL2077165 0.83 MMP1 (0.41) ESR1ESR2DDB1CRBNSRD5A2
SCHEMBL1003668 0.81 ESR1 (0.38) KDRESR1ESR2DDB1CRBN
SCHEMBL1004540 0.81 ESR1 (0.41) ESR1ESR2KMT2AKDM4EDAO
SCHEMBL1007006 0.81 ESR1 (0.38) ESR1ESR2KMT2AKDM4EHPGD
SCHEMBL1003672 0.80 HCAR2 (0.40) ESR1ESR2KMT2AKDM4EHPGD

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 23 patents — showing the first 20. 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-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
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
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-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
EP-2074092-A2 INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-07-01 EP disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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
WO-2008089453-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-07-24 WO disclosed
WO-2005066135-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 WO 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 (6 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 KDR 4863/4885ESR1 1926/4885ESR2 3514/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR KDR 4863/4885ESR1 1926/4885ESR2 3514/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR KDR 4863/4885ESR1 1926/4885ESR2 3514/4885
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE KDR 4851/4885ESR1 3231/4885ESR2 4183/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE KDR 4851/4885ESR1 3231/4885ESR2 4183/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR KDR 4863/4885ESR1 1926/4885ESR2 3514/4885

“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.