SCHEMBL918070

SCHEMBL918070

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL917835 0.77 EEF2K (0.39) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL917945 0.74 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL14837204 0.73 HPGD (0.41) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL917490 0.73 PARP1 (0.36) KDM4EALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL917573 0.72 KDM4E (0.38) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL918817 0.70 KDM4E (0.34) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL2323855 0.70 ALDH1A1 (0.44) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL14837201 0.68 PARP1 (0.34) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3039493 0.68 ALDH1A1 (0.50) KDM4EALDH1A1LMNASMN1; SMN2POLB
SCHEMBL27658875 0.67 KDM4E (0.35) KDM4EALDH1A1LMNASMN1; SMN2HPGD

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 14 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 disclosed
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-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-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
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
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
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
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 KDM4E 2214/4885ALDH1A1 234/4885LMNA 452/4885
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF PARP1, PARP2, PARP11 KDM4E 2214/4885ALDH1A1 234/4885LMNA 452/4885

“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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