SCHEMBL2491382

SCHEMBL2491382

CC1(C)C(=O)N(CCCc2cccnc2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MPI P34949 1/20 0.44
HTR6 P50406 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KCNA5 P22460 5/20 0.37
KCNJ5 P48544 5/20 0.37
KCNJ3 P48549 5/20 0.37
NAMPT P43490 1/20 0.37
HTT P42858 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CCR6 P51684 1/20 0.37

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
SCHEMBL2491071 0.81 MAPT (0.52) MAPTALDH1A1GAANAMPTMEN1
SCHEMBL2488454 0.79 TDP1 (0.55) TDP1MPIMAPTALDH1A1SMN1; SMN2
SCHEMBL2486986 0.78 TDP1 (0.54) TDP1MPIMAPTALDH1A1SMN1; SMN2
SCHEMBL2490983 0.78 TDP1 (0.45) TDP1MPIALDH1A1SMN1; SMN2KDM4E
SCHEMBL2489595 0.78 MPI (0.47) TDP1MPIMAPTALDH1A1KDM4E
SCHEMBL2488757 0.78 TDP1 (0.50) TDP1MPIMAPTALDH1A1HTT
SCHEMBL2488630 0.77 TDP1 (0.57) TDP1MPIMAPTALDH1A1POLB
SCHEMBL2488437 0.77 TDP1 (0.52) TDP1MPIMAPTALDH1A1SMN1; SMN2
SCHEMBL2486345 0.76 TDP1 (0.51) TDP1MPIMAPTALDH1A1SMN1; SMN2
SCHEMBL6461934 0.75 TDP1 (0.50) TDP1MPIMAPTALDH1A1SMN1; SMN2

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 TDP1 452/4885MPI 2348/4885HTR6 3586/4885

“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.