SCHEMBL4587368

SCHEMBL4587368

CC(C)C(C)OC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 7/20 0.67
KDM4A O75164 3/20 0.67
ING2 Q9H160 1/20 0.67
SIRT3 Q9NTG7 10/20 0.53
ABCB1 P08183 2/20 0.52
KDM7A Q6ZMT4 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
THRA P10827 2/20 0.52
THRB P10828 2/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
PHF2 O75151 1/20 0.52
ABCB11 O95342 1/20 0.52
NR3C1 P04150 1/20 0.52
ERBB2 P04626 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL4588590 1.00 KDM5A (0.67) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL4587362 1.00 KDM5A (0.67) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL4587559 0.90 KDM5A (0.68) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL3130995 0.90 KDM5A (0.68) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL3131006 0.90 KDM5A (0.68) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL14192200 0.88 SIRT3 (0.70) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL4588926 0.88 ABCB1 (0.70) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL14192201 0.88 SIRT3 (0.70) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL4587119 0.88 ABCB1 (0.70) KDM5AKDM4AING2SIRT3ABCB1
SCHEMBL4587110 0.88 ABCB1 (0.70) KDM5AKDM4AING2SIRT3ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use ARYX THERAPEUTICS, INC. 2008-05-15 US claimed
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 claimed
EP-1732537-A1 BENZOFURANYL DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIAC ARRHYTHMIA Aryx Therapeutics (US) 2006-12-20 EP claimed
US-20060276535-A1 Novel Compounds for Treatment of Cardiac Arrhythmia and Methods of Use ARYX THERAPEUTICS, INC. (US) 2006-12-07 US claimed
US-7105568-B2 Compounds for treatment of cardiac arrhythmia and methods of use ARYX THERAPEUTICS, INC. (US) 2006-09-12 US claimed
WO-2005099684-A1 BENZOFURANYL DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIAC ARRHYTHMIA ARYX THERAPEUTICS (US) 2005-10-27 WO claimed
US-20050228045-A1 Novel compounds for treatment of cardiac arrhythmia and methods of use ARYX THERAPEUTICS 2005-10-13 US claimed
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-20060276535-A1 Novel Compounds for Treatment of Cardiac Arrhythmia and Methods of Use ARYX THERAPEUTICS, INC. (US) 2006-12-07 US disclosed
US-7105568-B2 Compounds for treatment of cardiac arrhythmia and methods of use ARYX THERAPEUTICS, INC. (US) 2006-09-12 US disclosed
US-20050228045-A1 Novel compounds for treatment of cardiac arrhythmia and methods of use ARYX THERAPEUTICS 2005-10-13 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 (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-20060276535-A1 Novel Compounds for Treatment of Cardiac Arrhythmia and Methods of Use TNNI3, TNNT2, RYR2 KDM5A 3583/4885KDM4A 3714/4885ING2 3992/4885
US-20050228045-A1 Novel compounds for treatment of cardiac arrhythmia and methods of use TNNI3, TNNT2, RYR2 KDM5A 3583/4885KDM4A 3714/4885ING2 3992/4885
US-20080114059-A1 Novel Compounds For Treatment of Cardiac Arrhythmia and Methods of Use TNNI3, TNNT2, RYR2 KDM5A 3583/4885KDM4A 3714/4885ING2 3992/4885

“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.