SCHEMBL3744449

SCHEMBL3744449

Cc1cc(C(N)=O)c[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NOTUM Q6P988 1/20 0.41
DAO P14920 1/20 0.39
PARP1 P09874 2/20 0.38
ATAD2 Q6PL18 2/20 0.38
BRD4 O60885 5/20 0.37
BRD9 Q9H8M2 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC9A1 P19634 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BRPF1 P55201 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL480033 0.82 NOTUM (0.63) ALDH1A1NOTUMDAOATAD2BRD4
SCHEMBL16168454 0.79
SCHEMBL18696150 0.78 CDC7 (0.43) CDC7ALDH1A1NOTUMPARP1SMN1; SMN2
SCHEMBL31337488 0.77 POLB (0.45) ALDH1A1NOTUMPARP1BRD4KDM4E
SCHEMBL20661372 0.74 ALDH1A1 (0.49) ALDH1A1BRD4KMT2AKDM4EHSD17B10
SCHEMBL18584634 0.73 BRD4 (0.43) CDC7ALDH1A1BRD4HTTKMT2A
SCHEMBL31702852 0.73 CDC7 (0.37) CDC7ALDH1A1NOTUMDAOPARP1
Hydrochloric Acid SCHEMBL18584527 0.72 BRD4 (0.42) CDC7ALDH1A1BRD4HTTKMT2A
SCHEMBL31702823 0.72 CDC7 (0.36) CDC7ALDH1A1NOTUMDAOMAPK14
SCHEMBL18584787 0.72 CDC7 (0.36) CDC7ALDH1A1NOTUMDAOPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230243752-A1 SYSTEM AND METHOD FOR MONITORING THE HEALTH OF DIALYSIS PATIENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-08-03 US claimed
EP-3151665-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK Laboratory Corporation of America Holdings (US) 2017-04-12 EP claimed
US-20170045455-A1 SYSTEM AND METHOD FOR MONITORING THE HEALTH OF DIALYSIS PATIENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2017-02-16 US claimed
WO-2015164620-A1 SYSTEM AND METHOD FOR MONITORING THE HEALTH OF DIALYSIS PATIENTS ROBERTSON JOHN L (US) 2015-10-29 WO claimed
WO-2015157601-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK SYNAPDX CORPORATION (US) 2015-10-15 WO claimed
WO-2014004539-A1 METABOLOMICS IN PNEUMONIA AND SEPSIS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-01-03 WO claimed
WO-2006024545-A1 FUSED BICYCLIC NATURAL COMPOUNDS AND THEIR USE AS INHIBITORS OF PARP AND PARP-MEDIATED INFLAMMATORY PROCESSES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2006-03-09 WO claimed
CN-115803024-B Compositions comprising aryl amide derivatives 中外制药株式会社 2025-01-10 CN disclosed
CN-114929669-B Aryl amide derivatives with antitumor activity 中外制药株式会社 2024-11-29 CN disclosed
WO-2024086312-A1 ENHANCED NAD+ COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIONADRX HOLDINGS, INC. DBA BRYLEOS (US) 2024-04-25 WO disclosed
EP-4243822-A1 USE OF PHARMACEUTICAL DOSES OF NIACIN, OR AN ANALOG THEREOF, FOR THE REGRESSION OR REVERSAL OF FIBROSIS AND/OR LIVER CIRRHOSIS The Regents of The University of California (US) 2023-09-20 EP disclosed
US-20230243752-A1 SYSTEM AND METHOD FOR MONITORING THE HEALTH OF DIALYSIS PATIENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2023-08-03 US disclosed
US-11674903-B2 System and method for monitoring the health of dialysis patients VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-06-13 US disclosed
US-20170045455-A1 SYSTEM AND METHOD FOR MONITORING THE HEALTH OF DIALYSIS PATIENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2017-02-16 US disclosed
WO-2015164620-A1 SYSTEM AND METHOD FOR MONITORING THE HEALTH OF DIALYSIS PATIENTS ROBERTSON JOHN L (US) 2015-10-29 WO disclosed
WO-2015157601-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK SYNAPDX CORPORATION (US) 2015-10-15 WO disclosed
US-20130309697-A1 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME MITCHELL MATTHEW W (US) 2013-11-21 US disclosed
US-8518650-B2 Biomarkers for prostate cancer and methods using the same METABOLON, INC. (US) 2013-08-27 US disclosed
WO-2011010104-A1 METHODS IMPERIAL INNOVATIONS LIMITED (GB) 2011-01-27 WO disclosed
US-20100292331-A1 Biomarkers for Prostate Cancer and Methods Using the Same METABALON, INC. (US) 2010-11-18 US disclosed