SCHEMBL2489392

SCHEMBL2489392

CCOC(=O)CCCCN1C(=O)C(C)(C)c2cc(NC(=O)CCc3ccccc3)c([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 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
SCHEMBL2490357 0.90 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2488205 0.84 MAPT (0.53) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2491071 0.83 MAPT (0.52) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2490128 0.82 MAPT (0.61) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2492671 0.82 MAPT (0.46) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2486765 0.81 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2490934 0.81 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2486759 0.81 MAPT (0.56) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2487450 0.80 MAPT (0.43) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL2486433 0.79 TDP1 (0.46) MAPTALDH1A1GAAKDM4EKMT2A

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 MAPT 2325/4885RAB9A 2329/4885NPC1 2360/4885

“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.