SCHEMBL1380378

SCHEMBL1380378

COc1ccc2c(=O)n3c(c(-c4cccc(F)c4)c2c1)C(=O)CCC3

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.52
KCNH2 Q12809 7/20 0.52
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS1 P23219 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
DPP4 P27487 1/20 0.37
MIF P14174 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL3099318 0.87 KCNA5 (0.49) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3099312 0.87 KCNA5 (0.49) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL1377610 0.84 KCNA5 (0.51) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3125950 0.81 KCNA5 (0.41) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3096035 0.79 KCNA5 (0.50) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3106278 0.79 KCNA5 (0.50) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3103913 0.79 KCNA5 (0.50) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3097961 0.76 KCNA5 (0.43) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL1376904 0.74 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL3623049 0.73 KCNA5 (0.74) KCNA5KCNH2KDM4EALDH1A1HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667982-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 EP claimed
JP-4718467-B2 2011-07-06 JP claimed
US-7723352-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2010-05-25 US claimed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP claimed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US claimed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667982-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-1667982-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US disclosed
US-7723352-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2010-05-25 US disclosed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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 (2 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-20070027177-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 23/4885KCNH2 4/4885KDM4E 932/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 26/4885KCNH2 5/4885KDM4E 907/4885

“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.