SCHEMBL1534545

SCHEMBL1534545

COc1c(C=O)ccc([N+](=O)[O-])c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
PRKDC P78527 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ERN1 O75460 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL14092107 0.86 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL789758 0.86 MAPT (0.44) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL9275679 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL790725 0.85 ERN1 (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL3839293 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL12154699 0.85 ERN1 (0.54) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2885741 0.84 ERN1 (0.57) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL12154702 0.84 MAPT (0.44) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL15956251 0.84 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL23739284 0.82 MAPT (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2021-05-13 US disclosed
EP-3774734-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE Elex Biotech, Inc. (US) 2021-02-17 EP disclosed
CN-111936466-A Compounds for the treatment of cardiac arrhythmias and heart failure 埃利克斯生物技术公司 2020-11-13 CN disclosed
WO-2019191502-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2019-10-03 WO disclosed
CN-109328062-A Small molecule active oxygen cluster inducer and mitochondria activity inhibitor 密执安大学评议会 2019-02-12 CN disclosed
US-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE RYR2, RYR1, CACNA1F ALDH1A1 2527/4885MAPT 341/4885KDM4E 3952/4885
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR ALDH1A1 4088/4885MAPT 640/4885KDM4E 1952/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F ALDH1A1 2527/4885MAPT 341/4885KDM4E 3952/4885

“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.