SCHEMBL2052826

SCHEMBL2052826

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.55
KDM7A Q6ZMT4 1/20 0.55
ESR1 P03372 1/20 0.54
PGR P06401 1/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54

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
SCHEMBL4567254 0.96 KDM5A (0.58) KDM5AKDM7AESR1PGRCHRM2
SCHEMBL2414209 0.93 KDM5A (0.55) KDM5AKDM7AESR1PGRCHRM2
SCHEMBL9486770 0.92 ESR1 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL9486201 0.92 ESR1 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL9487404 0.91 ESR1 (0.55) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL30140813 0.90 ESR1 (0.68) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL283110 0.90 ESR1 (0.68) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL2332776 0.90 SIRT3 (0.56) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL16361325 0.90 SIRT3 (0.54) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL15426051 0.90 ESR1 (0.58) ESR1PGRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315245-A Benzofuran derivative, preparation method and application thereof CHINA RESOURCES SAIKE PHARMACEUTICAL CO LTD 2016-02-10 CN disclosed
US-8889734-B2 Process for the preparation of dronedarone SANOFI (FR) 2014-11-18 US disclosed
CN-102321058-B Method for synthesizing dronedarone hydrochloride CHINA RESOURCE SAIKE PHARMACEUTICAL CO LTD 2014-07-02 CN disclosed
US-20130261321-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2013-10-03 US disclosed
US-8501971-B2 Process for the preparation of dronedarone SANOFI (FR) 2013-08-06 US disclosed
US-20120289717-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2012-11-15 US disclosed
CN-102321058-A Method for synthesizing dronedarone hydrochloride BEIJING SECOND PHARMACEUTICAL CO LTD 2012-01-18 CN disclosed
WO-2011070380-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI-AVENTIS (FR) 2011-06-16 WO 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 (2 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-20120289717-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE CYP3A4, CYP4B1, CYP2D6 KDM5A 1800/4885KDM7A 2370/4885ESR1 4507/4885
US-20130261321-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE CYP2D6, CYP3A4, CYP4B1 KDM5A 1538/4885KDM7A 2252/4885ESR1 4472/4885

“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.