SCHEMBL1122916

SCHEMBL1122916

O=C1NC(=O)c2c(Cc3ccccc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.49
GSK3B P49841 1/20 0.47
ELANE P08246 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSG P08311 1/20 0.42
CASP2 P42575 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
DAO P14920 1/20 0.41
GAA P10253 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
SCHEMBL30554084 0.91 CASP3 (0.43) CASP3GSK3BELANEKDM4EALDH1A1
SCHEMBL10685681 0.90 CASP3 (0.43) CASP3GSK3BKDM4EALDH1A1MEN1
SCHEMBL29805947 0.90 CASP3 (0.43) CASP3GSK3BKDM4EALDH1A1MEN1
SCHEMBL28371583 0.89 CASP3 (0.44) CASP3GSK3BELANEKDM4EALDH1A1
SCHEMBL10713059 0.87 GSK3B (0.50) CASP3GSK3BKDM4EALDH1A1CYP1A2
SCHEMBL8498986 0.87 MAOA (0.50) CASP3GSK3BGAAMAOAMAOB
Tetraethylene Glycol SCHEMBL28997246 0.86 UPP1 (0.45) CASP3GSK3BELANEKDM4EALDH1A1
SCHEMBL30184679 0.85 ALDH1A1 (0.41) CASP3GSK3BKDM4EALDH1A1MEN1
SCHEMBL28486594 0.85 KCNQ2 (0.40) CASP3GSK3BKDM4EALDH1A1CYP1A2
SCHEMBL28320631 0.85 DAO (0.41) CASP3ELANEALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872877-A Synthesis method of aminotetraethyleneglycol 南京安伦化工科技有限公司 2023-03-31 CN claimed
CN-109305968-B A kind of preparation method of stable isotope labeling 6-benzyladenine internal standard reagent 坛墨质检科技股份有限公司 2019-09-27 CN claimed
CN-109305968-A A kind of preparation method of stable isotope labeling 6-benzyladenine internal standard reagent 坛墨质检科技股份有限公司 2019-02-05 CN claimed
CN-109293554-A It is the method that one step of starting material constructs N- benzylphthalimide using imines 桂林理工大学 2019-02-01 CN claimed
CN-101379031-B Improved process for preparing stable nitroxyl radicals POLIMERI EUROPA SPA 2012-03-28 CN claimed
US-8034362-B2 Chemical composition of hydrogels for use as articulating surfaces ZIMMER, INC. (US) 2011-10-11 US claimed
US-7982052-B2 Process for the preparation of stable nitroxyl radicals POLIMERI EUROPA S.P.A. (IT) 2011-07-19 US claimed
EP-2237807-A2 HYDROGEL COMPOSITIONS AND USES THEREOF Zimmer, Inc. (US) 2010-10-13 EP claimed
US-20100240909-A1 PROCESS FOR THE PREPARATION OF STABLE NITROXYL RADICALS POLIMERI EUROPA S.P.A. (IT) 2010-09-23 US claimed
EP-1984335-B1 IMPROVED PROCESS FOR THE PREPARATION OF STABLE NITROXYL RADICALS POLIMERI EUROPA SPA (IT) 2009-08-19 EP claimed
US-20090175919-A1 CHEMICAL COMPOSITION OF HYDROGELS FOR USE AS ARTICULATING SURFACES ZIMMER, INC. (US) 2009-07-09 US claimed
CN-101379031-A Improved process for preparing stable nitroxyl radicals POLIMERI EUROPA SPA (IT) 2009-03-04 CN claimed
EP-1984335-A1 IMPROVED PROCESS FOR THE PREPARATION OF STABLE NITROXYL RADICALS Polimeri Europa S.p.A. (IT) 2008-10-29 EP claimed
WO-2007093452-A1 IMPROVED PROCESS FOR THE PREPARATION OF STABLE NITROXYL RADICALS POLIMERI EUROPA S.P.A. (IT) 2007-08-23 WO claimed
EP-1789387-A1 PERFECTED PROCESS FOR THE PREPARATION OF STABLE NITROXIDE RADICALS Polimeri Europa S.p.A. (IT) 2007-05-30 EP claimed
WO-2006029697-A1 PERFECTED PROCESS FOR THE PREPARATION OF STABLE NITROXIDE RADICALS POLIMERI EUROPA S.P.A. (IT) 2006-03-23 WO claimed
EP-1601651-A1 PROCESS FOR THE PREPARATION OF 1,1,3,3-TETRAALKYLISOINDOLINES STARTING FROM N-BENZYLPHTHALIMIDE Polimeri Europa S.p.A. (IT) 2005-12-07 EP claimed
EP-1503754-A1 BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2005-02-09 EP claimed
WO-2004078720-A1 PROCESS FOR THE PREPARATION OF 1,1,3,3-TETRAALKYLISOINDOLINE STARTING FROM N-BENZYLPHTHALIMIDE POLIMERI EUROPA S.P.A. (IT) 2004-09-16 WO claimed
WO-2003088961-A1 BETA-AGONIST COMPOUNDS COMPRISING NITRIC OXIDE DONOR GROUPS AND REACTIVE OXYGEN SPECIES SCAVENGER GROUPS AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISORDERS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-10-30 WO 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 (1 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-20100240909-A1 PROCESS FOR THE PREPARATION OF STABLE NITROXYL RADICALS PPOX, TET1, PBRM1 CASP3 585/4885GSK3B 2806/4885ELANE 3304/4885

“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.