SCHEMBL3128785

SCHEMBL3128785

CC[C@@H](C)OC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(C)C)c(I)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 11/20 0.69
KDM5A P29375 7/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ABCB1 P08183 2/20 0.59
KDM7A Q6ZMT4 2/20 0.59
THRA P10827 2/20 0.59
THRB P10828 2/20 0.59
MLNR O43193 1/20 0.59
CACNA1F O60840 1/20 0.59
PHF2 O75151 1/20 0.59
ABCB11 O95342 1/20 0.59
NR3C1 P04150 1/20 0.59
ERBB2 P04626 1/20 0.59
CYP1A2 P05177 1/20 0.59
FYN P06241 1/20 0.59
CHRM2 P08172 1/20 0.59

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
SCHEMBL3128794 1.00 SIRT3 (0.69) SIRT3KDM5AALDH1A1TP53CYP3A4
SCHEMBL3128944 0.94 SIRT3 (0.61) SIRT3KDM5AALDH1A1TP53CYP3A4
SCHEMBL3128930 0.94 SIRT3 (0.61) SIRT3KDM5AALDH1A1TP53CYP3A4
Budiodarone SCHEMBL29380098 0.92 SIRT3 (0.70) SIRT3KDM5AALDH1A1TP53CYP3A4
Budiodarone SCHEMBL1946426 0.92 SIRT3 (0.70) SIRT3KDM5AALDH1A1TP53CYP3A4
Budiodarone SCHEMBL3123242 0.92 SIRT3 (0.70) SIRT3KDM5AALDH1A1TP53CYP3A4
Budiodarone SCHEMBL1946428 0.92 SIRT3 (0.70) SIRT3KDM5AALDH1A1TP53CYP3A4
SCHEMBL4587559 0.90 KDM5A (0.68) SIRT3KDM5AALDH1A1TP53CYP3A4
SCHEMBL3130995 0.90 KDM5A (0.68) SIRT3KDM5AALDH1A1TP53CYP3A4
SCHEMBL3131006 0.90 KDM5A (0.68) SIRT3KDM5AALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145881-A1 Antiarrhythmic precursor compounds, methods of synthesis and methods of use Aryx Therapeutics, Inc. (US) 2010-01-20 EP disclosed
EP-1904502-B1 ANTIARRHYTHMIC PRECURSOR COMPOUNDS, METHODS OF SYNTHESIS AND METHODS OF USE ARYX THERAPEUTICS INC (US) 2009-10-21 EP disclosed
EP-1904502-B1 ANTIARRHYTHMIC PRECURSOR COMPOUNDS, METHODS OF SYNTHESIS AND METHODS OF USE ARYX THERAPEUTICS INC (US) 2009-10-21 EP disclosed
US-7498449-B2 Antiarrhythmic precursor compounds, methods of synthesis and methods of use ARYX THERAPEUTICS (US) 2009-03-03 US disclosed
US-7498449-B2 Antiarrhythmic precursor compounds, methods of synthesis and methods of use ARYX THERAPEUTICS (US) 2009-03-03 US disclosed
US-7498449-B2 Antiarrhythmic precursor compounds, methods of synthesis and methods of use ARYX THERAPEUTICS (US) 2009-03-03 US disclosed
EP-1904502-A2 ANTIARRHYTHMIC PRECURSOR COMPOUNDS, METHODS OF SYNTHESIS AND METHODS OF USE Aryx Therapeutics, Inc. (US) 2008-04-02 EP disclosed
US-20070060640-A1 Antiarrhythmic Precursor Compounds, Methods Of Synthesis And Methods Of Use ARYX THERAPEUTICS (US) 2007-03-15 US disclosed
US-20070060640-A1 Antiarrhythmic Precursor Compounds, Methods Of Synthesis And Methods Of Use ARYX THERAPEUTICS (US) 2007-03-15 US disclosed
US-20070060640-A1 Antiarrhythmic Precursor Compounds, Methods Of Synthesis And Methods Of Use ARYX THERAPEUTICS (US) 2007-03-15 US disclosed
WO-2007011835-A2 ANTIARRHYTHMIC PRECURSOR COMPOUNDS, METHODS OF SYNTHESIS AND METHODS OF USE ARYX THERAPEUTICS, INC. (US) 2007-01-25 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 (1 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-20070060640-A1 Antiarrhythmic Precursor Compounds, Methods Of Synthesis And Methods Of Use SCN11A, SCN10A, CYP4F11 SIRT3 850/4885KDM5A 3772/4885ALDH1A1 800/4885

“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.