SCHEMBL2486433

SCHEMBL2486433

CCOC(=O)CCCCN1C(=O)C(C)(C)c2cc(N)c([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MPI P34949 1/20 0.46
TNF P01375 7/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK4 Q16099 1/20 0.37
GRIK5 Q16478 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL6461934 0.87 TDP1 (0.50) TDP1MPIMAPTKDM4EMEN1
SCHEMBL2486986 0.84 TDP1 (0.54) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2488454 0.83 TDP1 (0.55) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2488630 0.81 TDP1 (0.57) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2486920 0.78 TDP1 (0.56) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2488437 0.78 TDP1 (0.52) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2486345 0.77 TDP1 (0.51) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2486826 0.77 TDP1 (0.50) TDP1MPIMAPTMEN1CYP1A2
SCHEMBL2488947 0.76 TDP1 (0.50) TDP1MPIMAPTKDM4EMEN1
SCHEMBL2487106 0.76 TDP1 (0.52) TDP1MPIMAPTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7288613-B2 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith CIBA SPECIALTY CHEMICALS CORP. (US) 2007-10-30 US disclosed
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP disclosed
US-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith NESVADBA PETER 2006-07-06 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP 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 (2 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-20060149011-A1 N-alkoxy-4,4-dioxy-polyalkyl-piperidine compounds, their corresponding N-oxides and controlled radical polymerization therewith ALKBH2, ALKBH3, ALKBH5 TDP1 2828/4885MPI 3353/4885TNF 1940/4885
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 TDP1 452/4885MPI 2348/4885TNF 1618/4885

“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.