SCHEMBL2487450

SCHEMBL2487450

CCCCN1C(=O)C(C)(C)c2cc(NC(=O)CCc3ccc(OC(C)C)cc3)c([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPC1 O15118 1/20 0.36
HTR2A P28223 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35

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 0.85 MAPT (0.56) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL2492671 0.80 MAPT (0.46) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL2489392 0.80 MAPT (0.54) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL10696183 0.78 MAPT (0.51) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2491071 0.77 MAPT (0.52) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL10694162 0.77 KMT2A (0.38) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2488205 0.76 MAPT (0.53) MAPTKMT2AALDH1A1MEN1HPGD
SCHEMBL10710938 0.76 TP53 (0.43) MAPTKMT2AMEN1HPGDLMNA
SCHEMBL10699942 0.76 MAPT (0.51) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2490128 0.75 MAPT (0.61) MAPTKMT2AALDH1A1MEN1HPGD

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 2325/4885KMT2A 2581/4885ALDH1A1 618/4885

“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.