SCHEMBL917835

SCHEMBL917835

Cc1[nH]c(=O)c2c(c1-c1ccc(CO)o1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EEF2K O00418 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRD4 O60885 9/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL917945 0.83 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL917490 0.79 PARP1 (0.36) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL14837204 0.79 HPGD (0.41) KDM4EALDH1A1L3MBTL1HPGDBRD4
SCHEMBL918070 0.77 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL14837201 0.74 PARP1 (0.34) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14837202 0.73 PARP1 (0.33) —
SCHEMBL27658875 0.69 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL2673527 0.68 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL27796218 0.64 HSD17B10 (0.37) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL14837406 0.64 PARP1 (0.52) KDM4EALDH1A1SMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758864-B1 Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2013-04-10 — — EP claimed
US-20110021462-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-27 — — US claimed
US-7795278-B2 Substituted tetrahydro-2H-isoquinolin-1-one derivatives, and methods for the production and use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (US) 2010-09-14 — — US claimed
CN-1968929-B Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments SANOFI AVENTIS DEUTSCHLAND 2010-09-08 — — CN claimed
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-21 — — US claimed
CN-1968929-A Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2007-05-23 — — CN claimed
EP-1758864-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-07 — — EP claimed
WO-2005123687-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-29 — — WO claimed
EP-1758864-B1 Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2013-04-10 — — EP disclosed
US-20110021462-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-27 — — US disclosed
US-7795278-B2 Substituted tetrahydro-2H-isoquinolin-1-one derivatives, and methods for the production and use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (US) 2010-09-14 — — US disclosed
CN-1968929-B Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments SANOFI AVENTIS DEUTSCHLAND 2010-09-08 — — CN disclosed
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-21 — — US disclosed
EP-1758864-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-07 — — EP disclosed
WO-2005123687-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-29 — — 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-20110021462-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF PARP1, PARP2, PARP11 EEF2K 768/4885KDM4E 2214/4885ALDH1A1 234/4885
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF PARP1, PARP2, PARP11 EEF2K 768/4885KDM4E 2214/4885ALDH1A1 234/4885

“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.

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