SCHEMBL2486444

SCHEMBL2486444

CCOC(=O)CCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCc4ccccc4)nc3cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MMP13 P45452 1/20 0.39
CACNA1G O43497 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALOX5 P09917 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
FAAH O00519 3/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL13341279 0.87 AURKA (0.44) MAPTAURKAAURKBALDH1A1HDAC6
SCHEMBL13368199 0.84 AURKA (0.46) MAPTAURKAAURKBALDH1A1HDAC6
SCHEMBL2488708 0.81 AURKA (0.40) MAPTAURKAAURKBALDH1A1HDAC6
SCHEMBL3424599 0.80 HDAC1 (0.41) MAPTAURKAAURKBALDH1A1HDAC6
SCHEMBL13341319 0.79 HDAC6 (0.45) MAPTAURKAAURKBALDH1A1HDAC6
SCHEMBL2489352 0.78 MAPT (0.50) MAPTAURKAAURKBALDH1A1KDM4E
SCHEMBL2486668 0.77 NPC1 (0.54) MAPTAURKAAURKBALDH1A1HSD17B10
SCHEMBL13341286 0.77 AURKA (0.41) AURKAAURKBRAB9ASMN1; SMN2
SCHEMBL2488719 0.77 AURKA (0.43) MAPTAURKAAURKBALDH1A1HDAC6
SCHEMBL2492165 0.77 AURKA (0.43) MAPTAURKAAURKBALDH1A1HDAC6

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
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 MAPT 2325/4885AURKA 268/4885AURKB 215/4885

“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.