SCHEMBL3249732

SCHEMBL3249732

CCCCc1oc2ccc(C(=O)NCOC)cc2c1C(=O)c1ccc(CCCBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
EYA3 Q99504 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3247966 0.91 ESR1 (0.54) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL6139415 0.89 ESR1 (0.52) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL6140006 0.88 PTPN1 (0.50) PTPN1EYA3ESR1PGRCHRM2
SCHEMBL6139739 0.85 PTPN1 (0.50) PTPN1EYA3ESR1PGRCHRM2
SCHEMBL3247956 0.84 NR1H4 (0.56) PTPN1EYA3ESR1PGRCHRM2
SCHEMBL6139664 0.83 EYA3 (0.52) PTPN1EYA3ESR1PGRCHRM2
Hydrochloric Acid SCHEMBL6139669 0.83 NR1H4 (0.55) PTPN1EYA3ESR1PGRCHRM2
SCHEMBL3256165 0.82 NR1H4 (0.56) PTPN1EYA3ESR1PGRCHRM2
SCHEMBL3249737 0.82 PTPN1 (0.47) PTPN1EYA3ESR1PGRCHRM2
SCHEMBL6139677 0.81 EYA3 (0.50) PTPN1EYA3ESR1PGRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315709-B1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-6949583-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI-SYNTHELABO (FR) 2005-09-27 US disclosed
US-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same SANOFI (FR) 2003-12-04 US disclosed
EP-1315709-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2003-06-04 EP disclosed
WO-2002016339-A1 AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 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 (1 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-20030225100-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same NR2C2, NR4A2, NR5A2 PTPN1 1994/4885EYA3 4589/4885ESR1 33/4885

“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.