SCHEMBL2486089

SCHEMBL2486089

CCC1(CC)C(=O)N(C)c2ccc(NC(C)=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4A O75164 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 3/20 0.48
NQO2 P16083 3/20 0.44
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MYC P01106 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NR4A1 P22736 1/20 0.39
RAB9A P51151 1/20 0.39
PGR P06401 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 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
SCHEMBL4512009 0.83 MEN1 (0.44) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL2492094 0.82 MAPT (0.57) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL10695610 0.74 MAPT (0.51) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL10708746 0.73 MAPT (0.50) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL2490045 0.73 KMT2A (0.42) POLBSMN1; SMN2MAPTRECQLKMT2A
SCHEMBL9831278 0.72 NQO2 (0.61) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL4603531 0.72 MAPT (0.56) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL10695502 0.72 MAPT (0.49) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL10697280 0.71 KMT2A (0.48) POLBSMN1; SMN2MAPTMEN1KDM4A
SCHEMBL2489202 0.70 HTR7 (0.56) MAPTALDH1A1KDM4EPGRLMNA

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 POLB 144/4885SMN1; SMN2 1967/4885MAPT 2325/4885

“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.