SCHEMBL2489202

SCHEMBL2489202

CCC1(CC)C(=O)N(C)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.56
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HCRTR1 O43613 1/20 0.51
ELANE P08246 5/20 0.50
RAD52 P43351 1/20 0.50
ALDH1A1 P00352 4/20 0.48
PKM P14618 1/20 0.48
PGR P06401 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CBX7 O95931 2/20 0.42
CDY1; CDY1B Q9Y6F8 2/20 0.42
MAPK1 P28482 1/20 0.42
CDYL2 Q8N8U2 1/20 0.42
CDYL Q9Y232 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL27682336 0.86 HTR7 (0.49) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL29184031 0.86 HTR7 (0.49) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL14691430 0.84 HTR7 (0.45) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL28250863 0.80 MAPT (0.50) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL27965334 0.80 ELANE (0.49) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL31294849 0.79 MEN1 (0.50) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL25890248 0.79 RAD52 (0.68) MAPTKDM4ELMNAHCRTR1RAD52
SCHEMBL8200893 0.78 HTR7 (0.41) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL28737067 0.77 MAPT (0.44) HTR7MAPTKDM4ELMNAHCRTR1
SCHEMBL8295650 0.77 ALDH1A1 (0.66) HTR7MAPTKDM4ELMNAHCRTR1

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 4 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US 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 HTR7 3071/4885MAPT 2325/4885KDM4E 1977/4885

“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.