SCHEMBL2486549

SCHEMBL2486549

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])N(c1ccccc1)C(=O)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 4/20 0.39
PGR P06401 1/20 0.39
PKM P14618 2/20 0.38
CYP19A1 P11511 1/20 0.38
PDE7A Q13946 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL2489229 0.79 TDP1 (0.53) MAPTALDH1A1PGRKMT2ASMN1; SMN2
SCHEMBL2513529 0.75 POLB (0.41) MAPTNPSR1HTTALDH1A1PKM
SCHEMBL4504848 0.74 KMT2A (0.42) MAPTNPSR1HTTALDH1A1PKM
SCHEMBL10696897 0.74 L3MBTL1 (0.51) MAPTALDH1A1PKMKDM4EGAA
SCHEMBL10711637 0.74 NPC1 (0.48) MAPTNPSR1HTTALDH1A1GAA
SCHEMBL12659931 0.73 SMN1; SMN2 (0.55) MAPTHTTALDH1A1GAAKMT2A
SCHEMBL10695330 0.73 MPI (0.39) MAPTHTTALDH1A1GAAKMT2A
SCHEMBL26631806 0.72 HTT (0.48) MAPTNPSR1HTTALDH1A1PKM
SCHEMBL29879117 0.72 HTT (0.48) MAPTNPSR1HTTALDH1A1PKM
SCHEMBL2490128 0.72 MAPT (0.61) MAPTALDH1A1PKMKDM4EGAA

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
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 MAPT 2325/4885NPSR1 1423/4885HTT 1323/4885

“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.