SCHEMBL2565442

SCHEMBL2565442

CC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP1A2 P05177 2/20 0.69
HRH1 P35367 1/20 0.69
CYP2C19 P33261 2/20 0.65
RECQL P46063 1/20 0.65
SLC25A20 O43772 3/20 0.55
TSHR P16473 3/20 0.55
TP53 P04637 2/20 0.55
CYP2D6 P10635 2/20 0.55
SLC6A5 Q9Y345 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SLC22A16 Q86VW1 1/20 0.50

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
SCHEMBL30516606 0.92 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL29840023 0.92 MEN1 (0.63) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1644173 0.92 MEN1 (0.68) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL677165 0.89 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL234697 0.89 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445035 0.88 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
Bromide SCHEMBL2995963 0.88 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL8752465 0.88 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445036 0.88 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17416718 0.88 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120089347-A Neonate genetic metabolism disease screening automatic interpretation system based on artificial intelligence 洛阳瀚纳生物科技有限公司 2025-06-03 CN claimed
CN-118435054-A Compositions and methods for diagnosing and treating chronic kidney disease 雀巢产品有限公司 2024-08-02 CN claimed
CN-117074589-A Method for detecting succinylacetone, amino acid and carnitine in maternal amniotic fluid 山东英盛生物技术有限公司 2023-11-17 CN claimed
EP-3805756-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2021-04-14 EP claimed
CN-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 CN claimed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 EP claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
CN-120089347-A Neonate genetic metabolism disease screening automatic interpretation system based on artificial intelligence 洛阳瀚纳生物科技有限公司 2025-06-03 CN disclosed
CN-118435054-A Compositions and methods for diagnosing and treating chronic kidney disease 雀巢产品有限公司 2024-08-02 CN disclosed
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 US disclosed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 US disclosed
US-20240019417-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-01-18 US disclosed
CN-117074589-A Method for detecting succinylacetone, amino acid and carnitine in maternal amniotic fluid 山东英盛生物技术有限公司 2023-11-17 CN disclosed
US-20150293072-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 US disclosed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO disclosed
US-20150294081-A1 METHODS AND SYSTEMS FOR DETERMINING AUTISM SPECTRUM DISORDER RISK LABORATORY CORPORATION OF AMERICA HOLDINGS 2015-10-15 US disclosed
CN-102460160-B For assessment of the neoformation label of kidney trouble BIOCRATES LIFE SCIENCES AG (AT) 2015-08-19 CN disclosed
CN-102460160-A New biomarkers for assessing kidney diseases BIOCRATES LIFE SCIENCES AG 2012-05-16 CN disclosed
WO-2011130385-A1 BIOMARKERS FOR HEPATOCELLULAR CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC 2011-10-20 WO disclosed