SCHEMBL2489095

SCHEMBL2489095

CC1(C)C(=O)N(CC(=O)c2ccccc2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 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
SCHEMBL2488132 0.84 TP53 (0.46) MPITDP1HTTMAPK1LMNA
SCHEMBL2488757 0.82 TDP1 (0.50) MPITDP1HTTLMNAALDH1A1
SCHEMBL2486826 0.82 TDP1 (0.50) MPITDP1LMNAALDH1A1KMT2A
SCHEMBL2486404 0.82 TDP1 (0.50) MPITDP1HTTLMNAALDH1A1
SCHEMBL2486920 0.79 TDP1 (0.56) MPITDP1LMNAALDH1A1KMT2A
SCHEMBL6461934 0.77 TDP1 (0.50) MPITDP1LMNAALDH1A1KMT2A
SCHEMBL2488630 0.77 TDP1 (0.57) MPITDP1LMNAALDH1A1KMT2A
SCHEMBL2489229 0.76 TDP1 (0.53) MPITDP1MAPK1LMNAALDH1A1
SCHEMBL2488445 0.75 TDP1 (0.52) MPITDP1LMNAALDH1A1KMT2A
SCHEMBL2488454 0.75 TDP1 (0.55) MPITDP1HTTLMNAALDH1A1

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
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

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 MPI 2348/4885TDP1 452/4885HTT 1323/4885

“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.