SCHEMBL2489072

SCHEMBL2489072

CCCCCN1C(=O)C2(CC2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.42
LMNA P02545 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.40
ACHE P22303 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL16618789 0.91 OPRD1 (0.47) LMNAOPRD1OPRK1ACHEMAPT
SCHEMBL17983445 0.86 LMNA (0.43) LMNAOPRD1OPRK1OPRL1MEN1
SCHEMBL13234070 0.81 ALDH1A1 (0.43) LMNAOPRD1OPRK1OPRL1ACHE
SCHEMBL2485855 0.80 CYP19A1 (0.51) SCN9AOPRD1OPRK1OPRL1
SCHEMBL2488932 0.79 LMNA (0.54) LMNAOPRD1OPRK1OPRL1KMT2A
SCHEMBL2492012 0.79 MPI (0.44) SCN9AOPRD1OPRK1OPRL1MAPT
SCHEMBL8329948 0.77 MPI (0.41) LMNAACHECNR1CNR2MEN1
SCHEMBL13591499 0.77 MPI (0.41) LMNAACHECNR1CNR2MEN1
SCHEMBL2489952 0.77 OPRL1 (0.60) SCN9ALMNAOPRL1MEN1MAPT
SCHEMBL5562474 0.75 ESPL1 (0.40) LMNAACHECNR1CNR2MEN1

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 SCN9A 4794/4885LMNA 2554/4885OPRD1 2407/4885

“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.