SCHEMBL4559294

SCHEMBL4559294

C=CCNC(=O)c1ccccc1I

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.66
CYP1A2 P05177 2/20 0.66
MAPT P10636 2/20 0.61
ALDH1A1 P00352 6/20 0.58
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3459359 0.81 CA1 (0.70) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL7978017 0.81 HPGD (0.68) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL5885064 0.81 HPGD (0.68) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL1561753 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL9539900 0.79 ALDH1A1 (0.81) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL461826 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL16634735 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL7870127 0.79 HPGD (0.66) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL727376 0.78 ALDH1A1 (0.64) HPGDCYP1A2MAPTALDH1A1TP53
SCHEMBL28618627 0.78 HPGD (0.64) HPGDCYP1A2MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents THE UNIVERSITY OF TOLEDO (US) 2021-07-06 US disclosed
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2019-05-30 US disclosed
WO-2017223160-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2017-12-28 WO disclosed
EP-1562640-B1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS UNIV MCMASTER (CA) 2012-12-05 EP disclosed
US-8034939-B2 1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a] isoindole-6-one; anticarcinogenic agent: solid tumor and leukemia; neurodegenerative diseases: Alzheimer's and Huntington's diseases AVENTIS PHARMA S.A.. (FR) 2011-10-11 US disclosed
EP-1869042-B1 NOVEL ISOINDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, PREPARATION THEREOF AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS INHIBITORS OF CHAPERONE PROTEIN HSP90 ACTIVITIES AVENTIS PHARMA SA (FR) 2011-02-02 EP disclosed
US-20090005545-A1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS MCMASTER UNIVERSITY 2009-01-01 US disclosed
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
US-7335347-B2 Methods for purifying radiolabelled compounds MCMASTER UNIVERSITY (CA) 2008-02-26 US disclosed
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 US disclosed
EP-1562640-A2 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS Molecular Insight Pharmaceuticals, Inc. (US) 2005-08-17 EP disclosed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 EP disclosed
US-20040260073-A1 Methods for purifying radiolabelled compounds MCMASTER UNIVERSITY (CA) 2004-12-23 US disclosed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 US disclosed
WO-2004035744-A2 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS BIOSTREAM, INC. (US) 2004-04-29 WO disclosed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 US disclosed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 WO 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 (7 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-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 HPGD 212/4885CYP1A2 3257/4885MAPT 1171/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 HPGD 212/4885CYP1A2 3257/4885MAPT 1171/4885
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase FLT1, FLT4, KDR HPGD 410/4885CYP1A2 269/4885MAPT 2394/4885
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities HSP90B1, HSP90AB2P, HSP90AB1 HPGD 432/4885CYP1A2 896/4885MAPT 767/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR HPGD 336/4885CYP1A2 374/4885MAPT 1907/4885
US-20040260073-A1 Methods for purifying radiolabelled compounds PAICS, PFAS, NPEPPS HPGD 3863/4885CYP1A2 2505/4885MAPT 2835/4885
US-20090005545-A1 METHODS FOR PURIFYING RADIOLABELLED COMPOUNDS PAICS, PFAS, NPEPPS HPGD 3863/4885CYP1A2 2505/4885MAPT 2835/4885

“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.