SCHEMBL918628

SCHEMBL918628

COc1nc(C)c(-c2cccs2)c2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 7/20 0.41
▸ HPGD P15428 7/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ RPS6KB2 Q9UBS0 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36

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
SCHEMBL27817372 0.70 CYP3A4 (0.33) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL14837406 0.66 PARP1 (0.52) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL918282 0.65 HTR2C (0.37) KDM4EALDH1A1L3MBTL1TSHR
SCHEMBL27817301 0.65 KDM4E (0.40) KDM4EALDH1A1HPGDHTTNPC1
SCHEMBL2673088 0.64 ALDH1A1 (0.43) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL1133289 0.62 MGAM (0.47) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL6256897 0.61 KDM4E (1.00) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL28164659 0.61 RPS6KB2 (0.51) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL7013904 0.61 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL3972213 0.61 BRD4 (0.52) KDM4EALDH1A1TDP1L3MBTL1RAB9A

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 13 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
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 234/4885HPGD 71/4885
US-20070142430-A1 SUBSTITUTED TETRAHYDRO-2H-ISOQUINOLIN-1-ONE DERIVATIVES, AND METHODS FOR THE PRODUCTION AND USE THEREOF PARP1, PARP2, PARP11 KDM4E 2214/4885ALDH1A1 234/4885HPGD 71/4885

“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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