SCHEMBL2490105

SCHEMBL2490105

CC(=O)N(C)c1cc2c(cc1[N+](=O)[O-])N(C)C(=O)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPI P34949 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ HSPA9 P38646 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 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
SCHEMBL10699632 0.82 MPI (0.38) MPITDP1MAPTPOLBGAA
SCHEMBL10700787 0.78 KMT2A (0.36) MPITDP1MAPTPOLBGAA
SCHEMBL2489209 0.75 TDP1 (0.72) MPITDP1MAPTPOLBPKM
SCHEMBL23578343 0.72 SIRT6 (0.44) MPITDP1MAPTPOLBGAA
SCHEMBL5563212 0.71 RECQL (0.42) MPITDP1MAPTKMT2ACYP2C19
SCHEMBL10696332 0.71 POLB (0.41) MAPTPOLBGAAPKMKMT2A
SCHEMBL2534824 0.71 GAA (0.48) MAPTPOLBGAAPKMKMT2A
SCHEMBL10695006 0.70 MPI (0.45) MPITDP1MAPTPOLBGAA
SCHEMBL10693972 0.68 NPC1 (0.41) MPITDP1MAPTPOLBGAA
SCHEMBL15543815 0.67 CASP1 (0.53) POLBGAAKMT2AMEN1ALDH1A1

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
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 452/4885MAPT 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.

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