SCHEMBL2489595

SCHEMBL2489595

CC1(C)C(=O)N(CCCCn2ccnc2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP19A1 P11511 2/20 0.40
POLB P06746 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 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
SCHEMBL2486986 0.83 TDP1 (0.54) MPITDP1ALDH1A1LMNAPOLB
SCHEMBL5556318 0.82 CYP19A1 (0.48) ALDH1A1KDM4ELMNACYP19A1POLB
SCHEMBL2488454 0.82 TDP1 (0.55) MPITDP1ALDH1A1LMNACYP19A1
SCHEMBL2488630 0.79 TDP1 (0.57) MPITDP1ALDH1A1LMNAPOLB
SCHEMBL6461934 0.79 TDP1 (0.50) MPITDP1ALDH1A1KDM4ELMNA
SCHEMBL2488437 0.79 TDP1 (0.52) MPITDP1ALDH1A1LMNAPOLB
SCHEMBL2486345 0.78 TDP1 (0.51) MPITDP1ALDH1A1LMNAPOLB
SCHEMBL2491382 0.78 TDP1 (0.44) MPITDP1ALDH1A1KDM4EPOLB
SCHEMBL2486920 0.77 TDP1 (0.56) MPITDP1ALDH1A1LMNAPOLB
SCHEMBL2487921 0.77 MAPK1 (0.49) ALDH1A1LMNACYP19A1POLBKMT2A

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 7 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
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 MPI 2348/4885TDP1 452/4885ALDH1A1 618/4885

“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.