SCHEMBL1827089

SCHEMBL1827089

CC(=O)Nc1cc[nH]c(=O)n1.[Hg]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
PIK3C3 Q8NEB9 3/20 0.43
MAPK8 P45983 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ROCK2 O75116 1/20 0.41
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
PTK2 Q05397 1/20 0.40
HTR1F P30939 2/20 0.39
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37

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
SCHEMBL21187 0.98 KDM4E (0.47) KDM4ELMNAPIK3C3MAPK8L3MBTL1
Methane SCHEMBL27916786 0.96 KDM4E (0.46) KDM4ELMNAPIK3C3MAPK8L3MBTL1
Cytosine SCHEMBL6839375 0.89 KDM4E (0.41) KDM4ELMNAPIK3C3MAPK8L3MBTL1
Methylene Chloride SCHEMBL22285891 0.81 ADORA2A (0.35) KDM4ELMNAPIK3C3MAPK8HSP90AA1
SCHEMBL10679044 0.81 GRM5 (0.36) KDM4ELMNAADORA1ADORA2AMAOB
SCHEMBL28034702 0.80 ALDH1A1 (0.51) KDM4ELMNAPIK3C3ROCK2MAPT
SCHEMBL513900 0.79 CYP3A4 (0.38) KDM4EMAOBCYP1A2
SCHEMBL8709449 0.79 L3MBTL1 (0.46) KDM4ELMNAL3MBTL1ADORA1HTR1F
SCHEMBL1334904 0.79 ADORA3 (0.43) KDM4EADORA1ADORA2AHTR1FADORA3
SCHEMBL1965199 0.79 ADORA3 (0.43) KDM4ELMNAADORA1ADORA2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2319853-B1 Process for the production of 2'-branched nucleosides IDENIX PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
EP-2319853-A1 Process for the production of 2'-branched nucleosides Idenix (Cayman) Limited (KY) 2011-05-11 EP disclosed
US-7598373-B2 Process for the production of 2-C-methyl-D-ribonolactone IDENIX PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
EP-1585529-A4 PROCESS FOR THE PRODUCTION OF 2'-BRANCHED NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-05-28 EP disclosed
WO-2007025304-A2 PROCESS FOR PREPARING SACCHARINIC ACIDS AND LACTONES THE CHANCELLORS, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2007-03-01 WO disclosed
EP-1585529-A2 PROCESS FOR THE PRODUCTION OF 2'-BRANCHED NUCLEOSIDES Idenix (Cayman) Limited (KY) 2005-10-19 EP disclosed
US-20050020825-A1 Process for the production of 2'-branched nucleosides IDENIX PHARMACEUTICALS LLC 2005-01-27 US disclosed
WO-2004052899-A2 PROCESS FOR THE PRODUCTION OF 2'-BRANCHED NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2004-06-24 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-20050020825-A1 Process for the production of 2'-branched nucleosides RNGTT, MTAP, NSUN2 KDM4E 1150/4885LMNA 365/4885PIK3C3 3327/4885

“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.