SCHEMBL2487541

SCHEMBL2487541

CC1(C)C(=O)N(CCOC2CC2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MPI P34949 1/20 0.49
MAPT P10636 8/20 0.36
ALDH1A1 P00352 8/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2487312 0.86 BACE1 (0.33) CYP2C19CYP2C9MEN1KMT2ALMNA
SCHEMBL2489103 0.84 MPI (0.52) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL2488630 0.82 TDP1 (0.57) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL2488947 0.82 TDP1 (0.50) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL5564013 0.81 HTT (0.39) MAPTALDH1A1L3MBTL1LMNAGAA
SCHEMBL2488454 0.80 TDP1 (0.55) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL2486920 0.79 TDP1 (0.56) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL2489582 0.79 TDP1 (0.54) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL2486986 0.79 TDP1 (0.54) TDP1MPIMAPTALDH1A1CYP1A2
SCHEMBL2487731 0.78 TDP1 (0.53) TDP1MPIMAPTALDH1A1CYP1A2

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 TDP1 452/4885MPI 2348/4885MAPT 2325/4885

“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.