SCHEMBL862407

SCHEMBL862407

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 3/20 0.57
CYP19A1 P11511 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NPY5R Q15761 2/20 0.47
CA12 O43570 1/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL7900606 0.95 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL4362944 0.95 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL13785766 0.91 KMT2A (0.50) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL7891048 0.90 NPY5R (0.54) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL30649118 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL4389696 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL4371396 0.85 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL12619908 0.84 KMT2A (0.60) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL5630526 0.82 KMT2A (0.64) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL30089460 0.82 KMT2A (0.64) KMT2AMEN1ALDH1A1CYP19A1CA1

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
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
EP-1694672-B1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2012-06-20 EP disclosed
US-8143057-B2 Chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2012-03-27 US disclosed
US-8071626-B2 Chromophoric moiety comprises trialkoxyphenylpyridyl groups; biochemical conjugation; for solid phase synthesis of oligonucleotides and oligopeptides; magnetic resonance imaging; positron emission tomography WALLAC OY (FI) 2011-12-06 US disclosed
US-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE WALLAC OY (FI) 2010-02-11 US disclosed
US-7625930-B2 Chelating agents and highly luminescent and stable chelates and their use WALLOC OY (FI) 2009-12-01 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 US disclosed
EP-1885721-B1 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET SA (FR) 2009-07-29 EP disclosed
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use WALLAC OY (FI) 2008-07-10 US disclosed
EP-1885721-A2 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET (FR) 2008-02-13 EP disclosed
WO-2006100305-A2 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET (FR) 2006-09-28 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 (3 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-20100036102-A1 NOVEL CHELATING AGENTS AND HIGHLY LUMINESCENT AND STABLE CHELATES AND THEIR USE CLTA, CLTC, FOLH1 KMT2A 1390/4885MEN1 3630/4885ALDH1A1 4649/4885
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 KMT2A 1704/4885MEN1 941/4885ALDH1A1 2637/4885
US-20080167443-A1 Novel chelating agents and highly luminescent and stable chelates and their use CLTA, CLTC, FOLH1 KMT2A 1390/4885MEN1 3630/4885ALDH1A1 4649/4885

“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.