SCHEMBL4001279

SCHEMBL4001279

O=CN(O)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 17/20 0.56
LIG1 P18858 1/20 0.51
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
POLB P06746 2/20 0.43
HIF1A Q16665 2/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2C9 P11712 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
RXRA P19793 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL4005004 0.79 PCNA (0.66) PCNALIG1THRATHRBPOLB
SCHEMBL16124480 0.76 PCNA (0.63) PCNALIG1
SCHEMBL14485265 0.74 PCNA (0.64) PCNALIG1
SCHEMBL12808490 0.74 PCNA (0.68) PCNALIG1THRATHRBPOLB
SCHEMBL5742613 0.74 PCNA (0.74) PCNALIG1THRATHRBPOLB
SCHEMBL16124460 0.72 PCNA (0.76) PCNALIG1THRATHRBPOLB
SCHEMBL4004003 0.72 PCNA (0.58) PCNALIG1
SCHEMBL13886598 0.72 TAAR5 (0.68) PCNALIG1THRATHRBPOLB
SCHEMBL22382794 0.72 PCNA (0.67) PCNALIG1THRATHRBPOLB
SCHEMBL14264010 0.72 PCNA (0.67) PCNALIG1THRATHRBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383736-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-06-17 EP claimed
EP-1383736-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP claimed
US-6967220-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-11-22 US claimed
US-20040106795-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-06-03 US claimed
EP-1383736-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
WO-2003002522-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-09 WO claimed
WO-2003002522-A2 2003-01-09 WO claimed
EP-1383736-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-06-17 EP disclosed
EP-1383736-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-6967220-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-11-22 US disclosed
US-20040106795-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2004-06-03 US disclosed
EP-1383736-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
WO-2003002522-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-09 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-20040106795-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 PCNA 1541/4885LIG1 2800/4885THRA 3654/4885

“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.