SCHEMBL2492671

SCHEMBL2492671

CCCCCN1C(=O)C(C)(C)c2cc(NC(=O)CCc3cccc(N)c3)c([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.40
CNR2 P34972 1/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.36
BACE1 P56817 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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 0.91 MAPT (0.56) MAPTALDH1A1CNR2RAB9AGAA
SCHEMBL2489392 0.82 MAPT (0.54) MAPTALDH1A1CNR2RAB9AGAA
SCHEMBL2487450 0.80 MAPT (0.43) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL10696939 0.79 SMN1; SMN2 (0.49) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL2491071 0.79 MAPT (0.52) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL2488205 0.78 MAPT (0.53) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL2490128 0.78 MAPT (0.61) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL2486765 0.77 MAPT (0.56) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL2486759 0.77 MAPT (0.56) MAPTALDH1A1RAB9AGAANPC1
SCHEMBL2490934 0.77 MAPT (0.56) MAPTALDH1A1RAB9AGAANPC1

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 2325/4885ALDH1A1 618/4885CNR2 2560/4885

“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.