SCHEMBL2488840

SCHEMBL2488840

CC1(C)C(=O)N(CC2CCCO2)c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
SCN9A Q15858 4/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL13341349 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL2489103 0.78 MPI (0.52) MPITDP1ALDH1A1KMT2AMEN1
SCHEMBL2486920 0.78 TDP1 (0.56) MPITDP1ALDH1A1KMT2AMEN1
SCHEMBL768091 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL768092 0.77 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL2488630 0.76 TDP1 (0.57) MPITDP1ALDH1A1KMT2AMEN1
SCHEMBL2486416 0.75 TDP1 (0.46) MPITDP1ALDH1A1KMT2AMEN1
SCHEMBL2487541 0.75 TDP1 (0.49) MPITDP1ALDH1A1KMT2AMEN1
SCHEMBL3427020 0.74 TDP1 (0.50) MPITDP1ALDH1A1KMT2AMEN1
SCHEMBL2488445 0.74 TDP1 (0.52) MPITDP1ALDH1A1KMT2AMEN1

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 MPI 2348/4885TDP1 452/4885ALDH1A1 618/4885

“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.