SCHEMBL2022080

SCHEMBL2022080

CC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 1/20 0.33
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL4813196 0.93 KMT2A (0.34) KMT2AKDM4EGAA
SCHEMBL714018 0.88 KMT2A (0.43) KMT2ALMNACA12CA1CA2
SCHEMBL3141095 0.87 KMT2A (0.45) KMT2ALMNACA12CA1CA2
SCHEMBL7713694 0.87 KMT2A (0.33) KMT2AKDM4EGAA
SCHEMBL698650 0.85 KMT2A (0.40) KMT2ALMNANR1I2AHR
SCHEMBL7458930 0.85 KMT2A (0.40) KMT2ALMNACA12CA1CA2
SCHEMBL9428396 0.84 KMT2A (0.42) KMT2ALMNANR1I2AHR
SCHEMBL7976903 0.82 KMT2A (0.37) KMT2ALMNA
SCHEMBL11248292 0.82 KMT2A (0.38) KMT2ALMNA
SCHEMBL6305531 0.81 KMT2A (0.38) KMT2ALMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481726-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-07-09 US disclosed
US-8471031-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-06-25 US disclosed
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers CIBA CORPORATION 2011-06-30 US disclosed
EP-2035381-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2010-12-29 EP disclosed
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2010-09-30 US disclosed
EP-2035382-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2009-11-18 EP disclosed
EP-2035382-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
EP-2035381-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
US-7390904-B2 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-24 US disclosed
WO-2008003602-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
WO-2008003605-A1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
EP-1644329-A1 HYDROGEN PEROXIDE CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-HYDROCARBYLOXYAMINES Ciba SC Holding AG (CH) 2006-04-12 EP disclosed
US-20050014948-A1 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 US disclosed
WO-2005005388-A1 HYDROGEN PEROXIDE CATALYZED PROCESS FOR THE PREPARATION OF STERICALLY HINDERED N-HYDROCARBYLOXYAMINES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-01-20 WO disclosed
US-6166212-A Process for the synthesis of N-(hydroxyalkoxy) substituted hindered amine stabilizers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US 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 (3 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-20050014948-A1 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines HAO2, SOD1, PPOX KMT2A 924/4885LMNA 3323/4885CA12 1353/4885
US-20100249401-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 KMT2A 2110/4885LMNA 2799/4885CA12 4189/4885
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 KMT2A 1911/4885LMNA 2306/4885CA12 3843/4885

“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.