SCHEMBL1381933

SCHEMBL1381933

COc1ccc2c(=O)n(C)c(COCC(O)CN3CCOCC3)c(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.54
KCNH2 Q12809 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
HTR7 P34969 1/20 0.47
DPP4 P27487 1/20 0.47
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.44
ABCB1 P08183 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Hydrochloric Acid SCHEMBL3121972 0.99 KCNA5 (0.53) KCNA5KCNH2L3MBTL1PKMHTR7
SCHEMBL1379408 0.91 KCNA5 (0.56) KCNA5KCNH2HTR7DPP4TSHR
Hydrochloric Acid SCHEMBL3120738 0.91 KCNA5 (0.55) KCNA5KCNH2HTR7DPP4TSHR
SCHEMBL1379132 0.86 KCNA5 (0.59) KCNA5KCNH2DPP4HTTTSHR
Hydrochloric Acid SCHEMBL3123502 0.85 KCNA5 (0.58) KCNA5KCNH2DPP4HTTTSHR
SCHEMBL3117323 0.82 KCNA5 (0.68) KCNA5KCNH2DPP4
SCHEMBL1381462 0.82 KCNA5 (0.64) KCNA5KCNH2DPP4ALDH1A1GAA
Hydrochloric Acid SCHEMBL3116749 0.81 KCNA5 (0.67) KCNA5KCNH2DPP4KMT2A
Hydrochloric Acid SCHEMBL2904489 0.81 KCNA5 (0.62) KCNA5KCNH2DPP4ALDH1A1GAA
SCHEMBL3115349 0.80 KCNA5 (0.76) KCNA5KCNH2DPP4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP claimed
JP-4719151-B2 2011-07-06 JP claimed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US claimed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US claimed
EP-1667978-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-08-29 EP claimed
EP-1667978-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-06-14 EP claimed
WO-2005046578-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-05-26 WO claimed
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
EP-1667978-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-08-29 EP disclosed
EP-1667978-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-06-14 EP disclosed
WO-2005046578-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-05-26 WO disclosed
WO-2005046578-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-05-26 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-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 23/4885KCNH2 4/4885L3MBTL1 1064/4885

“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.