SCHEMBL491375

SCHEMBL491375

CC(C)(C)OC(=O)CCCCCCCCCCC1(N)CNCCNC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
HDAC8 Q9BY41 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL491105 0.88 EPHX2 (0.32) EPHX2
SCHEMBL13226665 0.82 TSHR (0.44) EPHX2
SCHEMBL10068386 0.79 LMNA (0.31)
SCHEMBL12222294 0.79 PAOX (0.42)
SCHEMBL15267816 0.74 EPHX2 (0.33) EPHX2
Hydrazine SCHEMBL10768065 0.74 EPHX2 (0.46) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL14482719 0.74 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL3914424 0.74 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL20450540 0.74 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6
SCHEMBL14482131 0.74 EPHX2 (0.49) EPHX2HDAC8HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
EP-1765812-B1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
EP-1786475-B1 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
EP-1904460-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.p.A. (IT) 2008-04-02 EP disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
EP-1786475-A2 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) Bracco Imaging, S.P.A. (IT) 2007-05-23 EP disclosed
EP-1765812-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS Bracco Imaging, S.P.A. (IT) 2007-03-28 EP disclosed
WO-2006136564-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.P.A. (IT) 2006-12-28 WO disclosed
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2006-02-16 US disclosed
WO-2006002873-A2 1 , 4 -BIS (CARBOXYMETHYL) -6- ' BIS ( CARBOXYMETHYL) AMINO ! -6 -METHYL- PERHYDRO-1 , 4 DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI ) BRACCO IMAGING SPA (IT) 2006-01-12 WO disclosed
WO-2006002875-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2006-01-12 WO disclosed
WO-2006002874-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN 1, 4, 7, 10-TERTRAAZACYCLODECAN-1, 4, 7-TRIACETIC ACID CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2006-01-12 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 (5 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-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy SSTR3, MB, CA13 EPHX2 4343/4885HDAC8 3709/4885HDAC1 925/4885
US-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 EPHX2 2441/4885HDAC8 2843/4885HDAC1 937/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 EPHX2 4432/4885HDAC8 3877/4885HDAC1 1035/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 EPHX2 2393/4885HDAC8 2265/4885HDAC1 1763/4885
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy CD99, MB, HBZ EPHX2 4577/4885HDAC8 2361/4885HDAC1 360/4885

“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.