SCHEMBL1376797

SCHEMBL1376797

COc1ccc2c(=O)[nH]c(C)c(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNA5 P22460 1/20 0.49
KCNH2 Q12809 1/20 0.49
SERPINE1 P05121 1/20 0.49
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48

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
SCHEMBL29639192 0.86 SERPINE1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL5534618 0.84 ALDH1A1 (0.47) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL3123433 0.83 KMT2A (0.50) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL1376795 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL3117498 0.81 DPP4 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL3116031 0.81 KCNA5 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL29773341 0.81 KCNA5 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL5195360 0.81 KDM4E (0.58) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL18019742 0.81 ALDH1A1 (0.57) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL25544687 0.81 MAPK13 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US claimed
JP-4718467-B2 2011-07-06 JP claimed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 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-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-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO 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 (3 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 NR3C1 4823/4885PGR 4776/4885NR3C2 3632/4885
US-20070027177-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 NR3C1 4750/4885PGR 4727/4885NR3C2 2992/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 NR3C1 4811/4885PGR 4771/4885NR3C2 3421/4885

“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.