SCHEMBL2491476

SCHEMBL2491476

CCCCCN1C(=O)C(C)(C)c2cc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])c([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 9/20 0.46
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
MAPT P10636 9/20 0.46
POLB P06746 3/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 10/20 0.45
RAB9A P51151 7/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL2491481 1.00 NPC1 (0.49) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL2486213 0.81 SCN9A (0.38)
SCHEMBL2486219 0.81 SCN9A (0.38)
SCHEMBL2490357 0.80 MAPT (0.56) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL2489363 0.79 MAPT (0.50) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2489367 0.79 MAPT (0.50) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10699652 0.78 NPC1 (0.49) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL10696939 0.78 SMN1; SMN2 (0.49) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL10698960 0.78 MAPT (0.41) NPC1LMNAALDH1A1MEN1KMT2A
SCHEMBL10701527 0.77 MAPT (0.49) NPC1ALDH1A1MEN1KMT2AMAPT

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 NPC1 2360/4885LMNA 2554/4885ALDH1A1 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.