SCHEMBL918817

SCHEMBL918817

COc1nc(C)c(-c2ccc(C=O)o2)c2c1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.34
▸ ALDH1A1 P00352 10/20 0.34
▸ MAPT P10636 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HPGD P15428 6/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ CYP2E1 P05181 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 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
SCHEMBL918714 0.76 KDM4E (0.40) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL918070 0.70 KDM4E (0.35) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL2672909 0.68 ALDH1A1 (0.40) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL1116271 0.66 BRD4 (0.53) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL15326742 0.66 MAPT (0.43) KDM4EALDH1A1MAPTRAB9AHPGD
SCHEMBL918628 0.66 KDM4E (0.44) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL6656195 0.65 ALDH1A1 (0.61) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL3039493 0.65 ALDH1A1 (0.50) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL918061 0.65 KDM4E (0.44) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL2551492 0.65 KDM4E (0.47) KDM4EALDH1A1MAPTRAB9ANPC1

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 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

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 234/4885MAPT 2395/4885
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF PARP1, PARP2, PARP11 KDM4E 2214/4885ALDH1A1 234/4885MAPT 2395/4885

“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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