SCHEMBL5227728

SCHEMBL5227728

CCCCc1oc2ccc(C#N)cc2c1C(=O)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
CYP2C9 P11712 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
KDM5A P29375 1/20 0.52
KDM7A Q6ZMT4 1/20 0.52
ESR1 P03372 1/20 0.51
PGR P06401 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL5227159 0.88 EYA3 (0.66) SLC22A12CYP2C9NR1H4KDM5AKDM7A
SCHEMBL5225465 0.88 SLC22A12 (0.52) SLC22A12CYP2C9EYA3CYP3A4MAPT
SCHEMBL5672664 0.87 SLC22A12 (0.51) SLC22A12CYP2C9CYP3A4MAPTALOX15
SCHEMBL5227261 0.86 ESR1 (0.70) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5225391 0.85 NR1H4 (0.60) SLC22A12CYP2C9NR1H4KDM5AKDM7A
SCHEMBL15488929 0.85 SLC22A12 (0.58) SLC22A12CYP2C9NR1H4KDM5AKDM7A
SCHEMBL5020569 0.85 SLC22A12 (0.68) SLC22A12CYP2C9NR1H4KDM5AKDM7A
Oxalic Acid SCHEMBL5674664 0.84 ESR1 (0.67) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL5672649 0.84 SLC22A12 (0.57) SLC22A12CYP2C9ESR1PGRCHRM2
SCHEMBL11823752 0.84 SLC22A12 (0.57) SLC22A12CYP2C9NR1H4KDM5AKDM7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315710-B1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
US-7148240-B2 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2006-12-12 US disclosed
US-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same SANOFI (FR) 2004-01-15 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 (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-20040010011-A1 Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method for preparing same and compositions containing same ABAT, TNNT2, BCAT1 SLC22A12 2161/4885CYP2C9 47/4885NR1H4 2001/4885

“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.