SCHEMBL1149700

SCHEMBL1149700

O=C(Cl)C1c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
CYP1A2 P05177 2/20 0.36
CES2 O00748 2/20 0.36
GALR3 O60755 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PARP1 P09874 1/20 0.35
KDM1A O60341 3/20 0.35
KDM1B Q8NB78 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 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
SCHEMBL1149620 0.75 CHRNB2 (0.40) CES2HPGDPARP1KDM1AKDM1B
SCHEMBL1149629 0.75 CHRNB2 (0.40) CES2HPGDPARP1ALDH1A1KMT2A
SCHEMBL6862889 0.75 HDAC3 (0.51) ALDH1A1MEN1KMT2AHTT
SCHEMBL14916078 0.72 HDAC4 (0.41) EDNRBEDNRACES2ALOX15ALDH1A1
SCHEMBL14124713 0.71 EDNRB (0.47) EDNRBEDNRACYP1A2CES2GALR3
SCHEMBL8209416 0.67 AHR (0.47) EDNRBEDNRACYP1A2CYP2C19MAPK1
SCHEMBL14124766 0.64 EDNRB (0.50) EDNRBEDNRACYP1A2MAPK1ALDH1A1
SCHEMBL29536401 0.64 KDM1A (0.43) CYP1A2ALOX15KDM1AKDM1BKDM4E
SCHEMBL22203925 0.63 MEN1 (0.38) EDNRBEDNRACYP1A2CYP2C9ALOX15
SCHEMBL998511 0.63 EDNRB (0.44) EDNRBEDNRACYP1A2CES2GALR3

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 9 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-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-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
EP-1709004-A2 PYRROLE AND PYRAZOLE DAAO INHIBITORS Sepracor Inc. (US) 2006-10-11 EP 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 (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 EDNRB 3510/4885EDNRA 2717/4885CYP1A2 3265/4885
US-20100016397-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR EDNRB 3510/4885EDNRA 2717/4885CYP1A2 3265/4885
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR EDNRB 3510/4885EDNRA 2717/4885CYP1A2 3265/4885
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR EDNRB 3510/4885EDNRA 2717/4885CYP1A2 3265/4885

“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.