SCHEMBL2491071

SCHEMBL2491071

CC1(C)C(=O)N(CCCc2cccnc2)c2cc([N+](=O)[O-])c(NC(=O)CCc3ccccc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAMPT P43490 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM6B O15054 2/20 0.39
KDM4D Q6B0I6 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.38

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 0.87 MAPT (0.56) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2489392 0.83 MAPT (0.54) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2490128 0.82 MAPT (0.61) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2488205 0.81 MAPT (0.53) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2491382 0.81 TDP1 (0.44) MAPTRAB9AGAAALDH1A1NAMPT
SCHEMBL2486765 0.80 MAPT (0.56) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2486759 0.80 MAPT (0.56) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2490934 0.80 MAPT (0.56) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL2492671 0.79 MAPT (0.46) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL10699998 0.78 MAPT (0.49) MAPTNPC1GAAALDH1A1CYP3A4

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 2329/4885NPC1 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.