SCHEMBL4909855

SCHEMBL4909855

COC(=O)c1cc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)cnc1NCCOC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
CHRNA7 P36544 1/20 0.37
TOP2A P11388 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
SCHEMBL4907603 0.93 IKBKE (0.39) IKBKETBK1CHRNA7TOP2A
SCHEMBL5225615 0.92 DAO (0.38) TOP2A
SCHEMBL5414092 0.90 CHRNA7 (0.40) IKBKETBK1CHRNA7
SCHEMBL4909671 0.86 DAO (0.39) CHRNA7TOP2A
SCHEMBL4909354 0.85 CHRNA7 (0.42) IKBKETBK1CHRNA7
SCHEMBL4910399 0.83 CD274 (0.42)
SCHEMBL4907263 0.82 IKBKE (0.44) IKBKETBK1TOP2A
SCHEMBL4904828 0.81 DAO (0.41) TOP2A
SCHEMBL4906966 0.80 IKBKE (0.42) IKBKETBK1
SCHEMBL4903831 0.76 DAO (0.39) TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 US claimed
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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 (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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B IKBKE 1220/4885TBK1 514/4885CHRNA7 4817/4885

“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.