SCHEMBL2492012

SCHEMBL2492012

CCCCCN1C(=O)C2(CC2)c2cc(N)c([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 5/20 0.38
OPRL1 P41146 1/20 0.37
SCN9A Q15858 10/20 0.36
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.33

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 0.86 TDP1 (0.54) MPITDP1SCN9AMAPT
SCHEMBL2488454 0.82 TDP1 (0.55) MPITDP1CYP19A1MAPT
SCHEMBL2486439 0.80 TDP1 (0.58) MPITDP1OPRL1OPRD1OPRK1
SCHEMBL2489072 0.79 SCN9A (0.42) OPRL1SCN9AOPRD1OPRK1MAPT
SCHEMBL2487015 0.78 TP53 (0.36) OPRL1SCN9AMAPT
SCHEMBL2488630 0.77 TDP1 (0.57) MPITDP1MAPT
SCHEMBL2485855 0.76 CYP19A1 (0.51) CYP19A1OPRL1SCN9AOPRD1OPRK1
SCHEMBL6461934 0.73 TDP1 (0.50) MPITDP1MAPT
SCHEMBL2488437 0.73 TDP1 (0.52) MPITDP1MAPT
SCHEMBL5562893 0.72 TDP1 (0.38) MPITDP1SCN9AMAPT

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 5 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US 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 452/4885CYP19A1 271/4885

“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.