SCHEMBL2010979

SCHEMBL2010979

CC(C)(C)OC(=O)n1cc(C=O)c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR6 P50406 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP30 Q70CQ3 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ERN1 O75460 1/20 0.36
CYP2A6 P11509 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KRAS P01116 1/20 0.34
PDGFRA P16234 1/20 0.34
CDK5 Q00535 1/20 0.34
TYRO3 Q06418 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL7715925 0.90 HTR6 (0.44) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL19473273 0.87 MEN1 (0.42) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL15902183 0.85 ALDH1A1 (0.45) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL29443989 0.85 ACHE (0.41) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL626504 0.85 ACHE (0.41) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL29443975 0.85 ALDH1A1 (0.45) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL29443970 0.84 ALDH1A1 (0.58) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL15902037 0.84 ALDH1A1 (0.58) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL15902423 0.82 MEN1 (0.41) MEN1KMT2AHTR6ACHEL3MBTL1
SCHEMBL22564665 0.82 PDGFRA (0.41) HTR6L3MBTL1USP30CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 US disclosed
CN-113480537-B Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2022-05-10 CN disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 WO disclosed
CN-113480537-A Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2021-10-08 CN disclosed
US-20190270778-A1 Cyclic Peptides As C5a Receptor Antagonists PFIZER INC. (US) 2019-09-05 US disclosed
EP-3491005-A1 CYCLIC PEPTIDES AS C5 A RECEPTOR ANTAGONISTS Pfizer Inc (US) 2019-06-05 EP disclosed
WO-2018020358-A1 CYCLIC PEPTIDES AS C5 A RECEPTOR ANTAGONISTS PFIZER INC. (US) 2018-02-01 WO disclosed
US-20160039796-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2016-02-11 US disclosed
EP-2981251-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC Bioscience AS (NO) 2016-02-10 EP disclosed
WO-2014162010-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS ABC BIOSCIENCE AS (NO) 2014-10-09 WO disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-09-25 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2003081199-A2 ANTIFOULING AGENT INNOVENTUS PROJECT AB (SE) 2003-10-02 WO disclosed
WO-2003081199-A2 ANTIFOULING AGENT INNOVENTUS PROJECT AB (SE) 2003-10-02 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 MEN1 2536/4885KMT2A 2642/4885HTR6 452/4885
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 MEN1 2033/4885KMT2A 2678/4885HTR6 4613/4885
US-20080234355-A1 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY DNMT1, DNMT3B, DNMT3A MEN1 3950/4885KMT2A 29/4885HTR6 3204/4885
US-20160039796-A1 BARETTIN AND DERIVATIVES THEREOF FOR MEDICAL USE, IN PARTICULAR FOR THE TREATMENT OF DISEASES RELATED TO OXIDATIVE STRESS OR INFLAMMATION, AND FOR PRESERVING OR WASHING ORGANS TYR, CAT, MPO MEN1 2423/4885KMT2A 2007/4885HTR6 1535/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MEN1 3710/4885KMT2A 567/4885HTR6 3814/4885
US-20190270778-A1 Cyclic Peptides As C5a Receptor Antagonists C3AR1, C5AR1, C5AR2 MEN1 573/4885KMT2A 4194/4885HTR6 3081/4885

“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.