SCHEMBL2419059

SCHEMBL2419059

COc1ccc(CN2C(=O)Cc3cc(Br)ccc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
CASP3 P42574 2/20 0.70
APAF1 O14727 2/20 0.70
GAA P10253 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
PARK7 Q99497 1/20 0.51
MDH2 P40926 1/20 0.51
BLM P54132 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
CMA1 P23946 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL2580937 0.82 KMT2A (1.00) MEN1KMT2ACASP3APAF1GAA
SCHEMBL31667682 0.82 CASP3 (0.62) MEN1KMT2ACASP3APAF1GAA
SCHEMBL12443620 0.80 PARK7 (0.47) MEN1KMT2ACASP3APAF1GAA
SCHEMBL29364860 0.80 PARK7 (0.47) MEN1KMT2ACASP3APAF1GAA
SCHEMBL1431418 0.78 GAA (0.51) MEN1KMT2ACASP3APAF1GAA
SCHEMBL23674994 0.77 HDAC1 (0.53) MEN1KMT2AALDH1A1PARK7MDH2
SCHEMBL30100741 0.77 HDAC1 (0.53) MEN1KMT2AALDH1A1PARK7MDH2
SCHEMBL26088987 0.77 HDAC1 (0.65) MEN1KMT2ACASP3APAF1GAA
SCHEMBL4782178 0.76 CHRM5 (0.68) CASP3APAF1ALDH1A1PARK7CMA1
SCHEMBL25377649 0.76 HDAC6 (0.45) MEN1KMT2ACASP3APAF1GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-8012979-B2 Compounds and their uses 707 ASTRAZENECA AB (SE) 2011-09-06 US disclosed
EP-2144881-A1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA AstraZeneca AB (SE) 2010-01-20 EP disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023746-A1 COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 WO disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 WO 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-20090023746-A1 COMPOUNDS AND THEIR USES 707 CYP3A7, UGT1A7, UGT2B7 MEN1 1767/4885KMT2A 3620/4885CASP3 953/4885

“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.