SCHEMBL2489236

SCHEMBL2489236

CC(=O)Nc1ccc2c(c1)C(C(C)C)C(=O)N2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.60
MAOA P21397 3/20 0.49
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
KDM4A O75164 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MYC P01106 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6949098 0.72 MAOA (0.56) NQO2MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL19669636 0.71 NQO2 (0.50) NQO2MAOAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27565961 0.71 MAOA (0.55) NQO2MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL2492094 0.69 MAPT (0.57) NQO2MAOAMEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL6762068 0.69 MAOA (0.52) NQO2MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL10706980 0.69 ALDH1A1 (0.50) NQO2MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL10695073 0.67 ALDH1A1 (0.55) MAOAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18682061 0.67 CHRNB2 (0.57) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL2486089 0.66 POLB (0.50) NQO2MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL11610339 0.65 PKM (0.47) NQO2MAOAMEN1KMT2ASMN1; SMN2

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 NQO2 330/4885MAOA 2842/4885MEN1 1549/4885

“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.