SCHEMBL918327

SCHEMBL918327

O=c1[nH]cc(-c2ccc(CN3CCC(O)C3)o2)c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ CSNK2A2 P19784 2/20 0.36
▸ CSNK2B P67870 2/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ PARP1 P09874 5/20 0.35
▸ LTA4H P09960 6/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL14837200 0.84 PARP1 (0.43) CYP1A2PARP1ALDH1A1
SCHEMBL14836767 0.79 PRKCQ (0.34) PARP1
SCHEMBL14836813 0.76 LMNA (0.43) CYP1A2PARP1KCNH2ALDH1A1
SCHEMBL917974 0.75 CYP2A6 (0.39) CYP1A2PARP1
SCHEMBL918647 0.73 FTO (0.36) PARP1
SCHEMBL6371206 0.72 CDC7 (0.39) CDC7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL14837487 0.72 ACHE (0.40) PIM1PARP1ALDH1A1
Hydrochloric Acid SCHEMBL2672841 0.71 CDC7 (0.39) CDC7PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL14837256 0.71 IL33 (0.39) PARP1ALDH1A1
SCHEMBL14837095 0.71 PARP1 (0.39) PARP1ALDH1A1

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 12 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
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
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
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 CDC7 3587/4885PIM1 2024/4885CSNK2A2 873/4885
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF PARP1, PARP2, PARP11 CDC7 3587/4885PIM1 2024/4885CSNK2A2 873/4885

“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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