SCHEMBL5620394

SCHEMBL5620394

COC(=O)c1cc(N)cc(C2=C(Br)CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.46
SLC6A3 Q01959 10/20 0.39
SLC6A2 P23975 5/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36

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
SCHEMBL4155667 0.85 NPC1 (0.47) ATAD2CA12CA1CA2CA7
SCHEMBL8410461 0.78 ATAD2 (0.60) ATAD2CA12CA1CA2CA7
SCHEMBL111187 0.73 CA12 (0.58) ATAD2CA12CA1CA2CA7
SCHEMBL654773 0.73 CA1 (0.58) ATAD2CA12CA1CA2CA7
SCHEMBL8410464 0.72 ATAD2 (0.55) ATAD2CA12CA1CA2CA7
SCHEMBL5621428 0.72 MEN1 (0.39) ATAD2SLC6A3SLC6A2KDM4EGAA
SCHEMBL176618 0.72 NOTUM (0.57) ATAD2CA12CA1CA2CA7
SCHEMBL5620048 0.71 CA12 (0.43) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9494959 0.71 CA1 (0.56) ATAD2CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL111186 0.71 CA12 (0.56) ATAD2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 US disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 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 (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-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 ATAD2 3420/4885SLC6A3 3724/4885SLC6A2 3482/4885

“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.