SCHEMBL2489209

SCHEMBL2489209

CN1C(=O)C(C)(C)c2cc(N)c([N+](=O)[O-])cc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.72
MPI P34949 1/20 0.72
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.41
MAPT P10636 8/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 3/20 0.37
SIRT6 Q8N6T7 1/20 0.37
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 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
SCHEMBL2486439 0.83 TDP1 (0.58) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2488630 0.82 TDP1 (0.57) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2486920 0.82 TDP1 (0.56) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2490594 0.82 TDP1 (0.56) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2488278 0.82 TDP1 (0.56) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL4950174 0.81 MPI (0.45) TDP1MPIMAPTMEN1KMT2A
SCHEMBL2488454 0.80 TDP1 (0.55) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2492692 0.80 MPI (0.48) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2489582 0.79 TDP1 (0.54) TDP1MPICYP1A2CYP2C9CYP2C19
SCHEMBL2486986 0.79 TDP1 (0.54) TDP1MPICYP1A2CYP2C9CYP2C19

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 8 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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 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 2348/4885CYP1A2 1252/4885

“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.