Budiodarone

Budiodarone

SCHEMBL3123242

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

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 7/20 0.70
KDM5A P29375 7/20 0.70
THRA P10827 3/20 0.70
THRB P10828 3/20 0.70
ALDH1A1 P00352 2/20 0.70
TP53 P04637 2/20 0.70
CYP3A4 P08684 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
ABCB1 P08183 2/20 0.70
KDM7A Q6ZMT4 2/20 0.70
MLNR O43193 1/20 0.70
CACNA1F O60840 1/20 0.70
PHF2 O75151 1/20 0.70
ABCB11 O95342 1/20 0.70
NR3C1 P04150 1/20 0.70
ERBB2 P04626 1/20 0.70
CYP1A2 P05177 1/20 0.70
FYN P06241 1/20 0.70
CHRM2 P08172 1/20 0.70

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
Budiodarone SCHEMBL29380098 1.00 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL1946428 1.00 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL1946426 1.00 SIRT3 (0.70) SIRT3KDM5ATHRATHRBALDH1A1
Budiodarone SCHEMBL30517707 0.95 SIRT3 (0.64) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL25808724 0.95 KDM5A (0.63) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL14192203 0.94 SIRT3 (0.62) SIRT3KDM5ATHRATHRBALDH1A1
Hydrochloric Acid SCHEMBL7583295 0.93 ALDH1A1 (0.62) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL3128930 0.93 SIRT3 (0.61) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL3128944 0.93 SIRT3 (0.61) SIRT3KDM5ATHRATHRBALDH1A1
SCHEMBL3128785 0.92 SIRT3 (0.69) SIRT3KDM5ATHRATHRBALDH1A1

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 14 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-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
US-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use ARYX THERAPEUTICS, INC. 2008-05-15 US disclosed
US-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use ARYX THERAPEUTICS, INC. 2008-05-15 US disclosed
US-7351842-B2 )-{3-[4-(2-Ethylamino-ethoxy)-3,5-diiodo-benzoyl]-benzofuran-2-yl}-acetic acid sec-butyl ester; amiodarone derivatives; congestive heart failure, ischemic cardiomyopathy, atrial fibrillation, ventricular tachycardia; side effect reduction: pharmacolkinetics, oral bioavailability, nontoxic ARYX THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
US-7351842-B2 )-{3-[4-(2-Ethylamino-ethoxy)-3,5-diiodo-benzoyl]-benzofuran-2-yl}-acetic acid sec-butyl ester; amiodarone derivatives; congestive heart failure, ischemic cardiomyopathy, atrial fibrillation, ventricular tachycardia; side effect reduction: pharmacolkinetics, oral bioavailability, nontoxic ARYX THERAPEUTICS, INC. (US) 2008-04-01 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
US-20070060640-A1 Antiarrhythmic Precursor Compounds, Methods Of Synthesis And Methods Of Use ARYX THERAPEUTICS (US) 2007-03-15 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-20070060640-A1 Antiarrhythmic Precursor Compounds, Methods Of Synthesis And Methods Of Use SCN11A, SCN10A, CYP4F11 SIRT3 850/4885KDM5A 3772/4885THRA 535/4885
US-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use TNNI3, TNNT2, RYR2 SIRT3 520/4885KDM5A 3583/4885THRA 2469/4885

“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.