SCHEMBL427283

SCHEMBL427283

CC(=O)NCCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
DNM1 Q05193 1/20 0.53
PAOX Q6QHF9 4/20 0.52
ADRA1A P35348 1/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL885320 0.93 KDM4E (0.65) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL23171099 0.92 KDM4E (0.65) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL28958163 0.91 KDM4E (0.70) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL16303439 0.91 KDM4E (0.70) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL12282948 0.91 KDM4E (0.70) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL25478737 0.90 KDM4E (0.61) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL11456594 0.86 KDM4E (0.61) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL426172 0.85
SCHEMBL15217208 0.84 KDM4E (0.58) KDM4EMAPK1HIF1ADNM1PAOX
SCHEMBL36169 0.83 DNM1 (0.55) KDM4EDNM1PAOXHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611766-B Amide coordination carboxylic acid inner salt anti-swelling agent and preparation method and application thereof 陕西科技大学 2024-04-16 CN claimed
CN-117770273-A Composite herbicide glyphosate and imidazolinone herbicide as well as preparation method and application thereof 福建兴华农林高新技术研究所 2024-03-29 CN claimed
CN-116534964-A Modified polyaluminum ferric chloride and preparation method and application thereof 衡阳市建衡实业有限公司 2023-08-04 CN claimed
CN-115611766-A Amide coordination carboxylic acid inner salt anti-swelling agent and preparation method and application thereof 陕西科技大学 2023-01-17 CN claimed
CN-107698755-B Cationic polymer and preparation method and application thereof 四川大学 2021-03-30 CN claimed
EP-3080079-B1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2018-07-25 EP claimed
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-11-03 US claimed
EP-3080079-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2016-10-19 EP claimed
WO-2015086565-A1 OXIDATION OF 2-MERCAPTOETHANOL BASF SE (DE) 2015-06-18 WO claimed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
WO-2006089874-A1 BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONES GPC BIOTECH AG (DE) 2006-08-31 WO claimed
US-4057430-A MEROCYANINE THIOHYDANTOIN SENSITIZERS FUJI PHOTO FILM CO., LTD. (JA) 1977-11-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3309/4885MAPK1 2764/4885HIF1A 3497/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B KDM4E 772/4885MAPK1 1745/4885HIF1A 2483/4885
US-20160318860-A1 OXIDATION OF 2-MERCAPTOETHANOL HAO2, GPX4, SQOR KDM4E 3249/4885MAPK1 2315/4885HIF1A 707/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3309/4885MAPK1 2764/4885HIF1A 3497/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KDM4E 3309/4885MAPK1 2764/4885HIF1A 3497/4885

“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.