SCHEMBL2492899

SCHEMBL2492899

CCC1(CC)C(=O)N(C)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.48
CASP3 P42574 1/20 0.48
CASP4 P49662 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
LMNA P02545 3/20 0.44
ESPL1 Q14674 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
AKR1B1 P15121 2/20 0.40
SNCA P37840 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12659865 0.84 CYP1A2 (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL16618586 0.84 CASP1 (0.44) CASP1CASP3CASP4CASP7CASP9
SCHEMBL4512676 0.82 MAPT (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL15543815 0.82 CASP1 (0.53) CASP1CASP3CASP4CASP7CASP9
SCHEMBL13233746 0.81 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL13234126 0.80 ESPL1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL3592128 0.79 CASP1 (0.50) CASP1CASP3CASP4CASP7CASP9
SCHEMBL15544539 0.79 CASP1 (0.50) CASP1CASP3CASP4CASP7CASP9
SCHEMBL31419414 0.79 CASP1 (0.50) CASP1CASP3CASP4CASP7CASP9
SCHEMBL2488932 0.78 LMNA (0.54) CASP1CASP3CASP4CASP7CASP9

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
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
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP 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 (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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 CASP1 1075/4885CASP3 206/4885CASP4 1498/4885

“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.