SCHEMBL2489952

SCHEMBL2489952

CCCCCN1C(=O)C2(CC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.60
SCN9A Q15858 13/20 0.54
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES1 P23141 1/20 0.48
CDC25A P30304 1/20 0.48

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
SCHEMBL16264955 0.95 OPRL1 (0.55) OPRL1SCN9ALMNASMN1; SMN2ALDH1A1
SCHEMBL16618696 0.89 OPRL1 (0.51) OPRL1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL318944 0.84 LMNA (0.51) OPRL1LMNASMN1; SMN2ALDH1A1
SCHEMBL10248332 0.83 LMNA (0.48) OPRL1SCN9ALMNASMN1; SMN2
SCHEMBL16618821 0.83 CNR1 (0.54) OPRL1ALDH1A1MEN1KMT2A
SCHEMBL2485855 0.81 CYP19A1 (0.51) OPRL1SCN9A
SCHEMBL10518420 0.80 OPRL1 (0.49) OPRL1LMNASMN1; SMN2ALDH1A1CES1
SCHEMBL2302357 0.80 OPRL1 (0.47) OPRL1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1963112 0.80 SCN1A (0.49) OPRL1LMNASMN1; SMN2
SCHEMBL28228181 0.79 SCN9A (0.53) SCN9AALDH1A1ALDH2ALDH3A1KDM4E

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 OPRL1 3406/4885SCN9A 4794/4885LMNA 2554/4885

“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.