SCHEMBL2900959

SCHEMBL2900959

CNC(=O)c1ccc(OC)cc1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MTNR1A P48039 2/20 0.57
MTNR1B P49286 1/20 0.57
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
HSP90AA1 P07900 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 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
SCHEMBL3102721 0.88 MTNR1A (0.57) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL28208639 0.87 MTNR1A (0.59) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL3098374 0.87 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL2962342 0.87 MTNR1A (0.58) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL3095667 0.87 ALDH1A1 (0.56) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL3095716 0.85 TP53 (0.49) ALDH1A1MTNR1AMTNR1BRAB9A
SCHEMBL28357410 0.84 MTNR1A (0.55) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL27595205 0.82 HPGD (0.57) ALDH1A1MTNR1AMTNR1BHPGDGAA
SCHEMBL27855822 0.81 MTNR1A (0.52) ALDH1A1MTNR1AMTNR1BHPGDHTT
SCHEMBL1927147 0.79 PTPN1 (0.52)

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 27 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 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-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-1667976-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2010-08-04 EP disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
US-7723352-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2010-05-25 US disclosed
EP-1667977-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-09-09 EP disclosed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
EP-1667977-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030726-A1 ISOQUINOLINONE 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
WO-2005030727-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO disclosed
US-6870055-B2 Isoquinolinone potassium channels inhibitors MERCK & CO., INC. (US) 2005-03-22 US disclosed
US-20040044030-A1 Isoquinolinone potassium channels inhibitors MERCK SHARP & DOHME CORP. 2004-03-04 US disclosed
EP-1322619-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2004-02-25 EP disclosed
EP-1322619-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
WO-2002024655-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2002-03-28 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-20040044030-A1 Isoquinolinone potassium channels inhibitors KCNQ5, KCNQ1, KCNQ2 ALDH1A1 1685/4885MTNR1A 2480/4885MTNR1B 2578/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 ALDH1A1 2308/4885MTNR1A 2523/4885MTNR1B 2152/4885

“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.