SCHEMBL2486765

SCHEMBL2486765

CCC=CCN1C(=O)C(C)(C)c2cc(NC(=O)CCc3ccccc3)c([N+](=O)[O-])cc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
RAB9A P51151 5/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2486759 1.00 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2490357 0.85 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2490934 0.85 MAPT (0.56) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2490128 0.84 MAPT (0.61) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2489392 0.81 MAPT (0.54) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2488205 0.81 MAPT (0.53) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2491071 0.80 MAPT (0.52) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL2492671 0.77 MAPT (0.46) MAPTRAB9AGAAALDH1A1LMNA
SCHEMBL10710938 0.77 TP53 (0.43) MAPTRAB9ALMNANPC1MEN1
SCHEMBL2488554 0.76 MAPT (0.51) MAPTRAB9AGAAALDH1A1LMNA

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 MAPT 2325/4885RAB9A 2329/4885GAA 1082/4885

“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.