SCHEMBL3098374

SCHEMBL3098374

COc1ccc(C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
ALDH1A1 P00352 2/20 0.57
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 2/20 0.52
LTA4H P09960 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PGR P06401 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH1 P35367 1/20 0.51
HTT P42858 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PDE4D Q08499 1/20 0.51
TSHR P16473 2/20 0.51

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
SCHEMBL7591665 0.92 SMN1; SMN2 (0.51) MTNR1AMTNR1BALDH1A1AKR1C3AKR1C2
SCHEMBL30887371 0.91 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1AKR1C3AKR1C2
SCHEMBL2962342 0.91 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1LTA4HLMNA
SCHEMBL28208639 0.88 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1AKR1C3AKR1C2
SCHEMBL28357410 0.88 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1LTA4HLMNA
SCHEMBL7125179 0.88 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1AKR1C3AKR1C2
SCHEMBL2900959 0.87 ALDH1A1 (0.60) MTNR1AMTNR1BALDH1A1LTA4HLMNA
SCHEMBL11816218 0.86 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1AKR1C3AKR1C2
SCHEMBL10493530 0.84 LTB4R (0.49) ALDH1A1LTA4HTSHRPTPN1PTPN2
SCHEMBL27855822 0.84 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683169-B Terazololine-one compound and application thereof 住友化学株式会社 2018-11-06 CN disclosed
CN-104903314-B 1- [1- (benzoyl)-pyrrolidines -2- carbonyls]-pyrrolidines -2- 6-carbonitrile derivatives 巴塞罗纳大学 2018-06-05 CN 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-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-7723352-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2010-05-25 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
CN-1856476-A Isoquinolinone potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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
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 MTNR1A 2480/4885MTNR1B 2578/4885ALDH1A1 1685/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 MTNR1A 2523/4885MTNR1B 2152/4885ALDH1A1 2308/4885

“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.