SCHEMBL6740430

SCHEMBL6740430

CC(C)(C)NC(=O)c1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
CYP2C9 P11712 1/20 0.42
APEX1 P27695 1/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6748722 0.86 MAPT (0.61) MEN1KMT2AMAPTSMN1; SMN2MAOA
SCHEMBL13973291 0.82 NPSR1 (0.58) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL14357551 0.78 ALDH1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2MAOA
SCHEMBL162827 0.78 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2MAOA
SCHEMBL5230905 0.78 HPGD (0.56) MEN1KMT2AMAPTSMN1; SMN2MAOA
SCHEMBL7757842 0.78 KDM4E (0.59) MEN1KMT2AMAPTSMN1; SMN2MAOA
SCHEMBL29643318 0.78 ALDH1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2MAOA
SCHEMBL4062158 0.78 KMT2A (0.60) MEN1KMT2ATDP1POLB
SCHEMBL6420811 0.77 GAA (0.63) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL1382593 0.77 KDM4E (0.60) MEN1KMT2AMAPTSMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548948-B Preparation method of methyl octabromoether 宿迁联盛科技股份有限公司 2023-04-14 CN claimed
CN-113548948-A Preparation method of methyl octabromoether 宿迁联盛科技股份有限公司 2021-10-26 CN claimed
CN-116535344-B Phthalimide preparation method of class compound 华南理工大学 2024-10-01 CN disclosed
CN-116535344-A Preparation method of phthalimide compound 华南理工大学 2023-08-04 CN disclosed
CN-113548948-B Preparation method of methyl octabromoether 宿迁联盛科技股份有限公司 2023-04-14 CN disclosed
CN-113548948-A Preparation method of methyl octabromoether 宿迁联盛科技股份有限公司 2021-10-26 CN disclosed
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
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 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 (6 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-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP MEN1 3618/4885KMT2A 4561/4885TDP1 3751/4885
US-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 MEN1 67/4885KMT2A 4789/4885TDP1 727/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 MEN1 67/4885KMT2A 4789/4885TDP1 727/4885
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP MEN1 2705/4885KMT2A 2165/4885TDP1 3266/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP MEN1 3618/4885KMT2A 4561/4885TDP1 3751/4885
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC MEN1 4377/4885KMT2A 1800/4885TDP1 505/4885

“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.