SCHEMBL790725

SCHEMBL790725

COc1c([N+](=O)[O-])ccc(C=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
PRKDC P78527 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TPMT P51580 1/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40

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
SCHEMBL12154699 0.87 ERN1 (0.54) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL8321673 0.86 TPMT (0.40) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL1534545 0.85 ALDH1A1 (0.53) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL16369624 0.83 ERN1 (0.50) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL14092107 0.82 ALDH1A1 (0.50) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL789758 0.82 MAPT (0.44) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL7510757 0.82 ERN1 (0.74) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL4437002 0.81 ERN1 (0.55) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL9275679 0.81 ALDH1A1 (0.49) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL69641 0.80 TPMT (0.49) ALDH1A1CYP3A4MAPTALOX15HSD17B10

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure ELEX BIOTECH, INC. (US) 2022-08-30 US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 US disclosed
EP-3224238-B1 NOVEL CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-08-11 EP disclosed
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2021-05-13 US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 EP disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 EP disclosed
CN-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 CN disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
EP-1601348-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2005-12-07 EP disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040242696-A1 Compositions and methods with enhanced therapeutic activity MATEON THERAPEUTICS, INC. 2004-12-02 US disclosed
WO-2004078126-A2 COMPOSITIONS AND METHODS WITH ENHANCED THERAPEUTIC ACTIVITY OXIGENE, INC. (US) 2004-09-16 WO disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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 (6 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-20040242696-A1 Compositions and methods with enhanced therapeutic activity NQO1, MKI67, COMT ERN1 3895/4885KDM4E 1518/4885ALDH1A1 553/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH ERN1 3052/4885KDM4E 3912/4885ALDH1A1 2778/4885
US-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE RYR2, RYR1, CACNA1F ERN1 2925/4885KDM4E 3952/4885ALDH1A1 2527/4885
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ERN1 1763/4885KDM4E 3072/4885ALDH1A1 1538/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 ERN1 1763/4885KDM4E 3072/4885ALDH1A1 1538/4885
US-11427542-B2 Compounds for treatment of cardiac arrhythmias and heart failure RYR2, RYR1, CACNA1F ERN1 2925/4885KDM4E 3952/4885ALDH1A1 2527/4885

“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.