SCHEMBL17360667

SCHEMBL17360667

COc1ccc(CN2CC(=O)N(Cc3ccc(OC)cc3)CC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.59
GAA P10253 2/20 0.58
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
GRM2 Q14416 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MMP1 P03956 1/20 0.49

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
SCHEMBL3659094 0.86 CMA1 (0.53) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL30503756 0.85 HDAC6 (0.56) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL15858013 0.84 GAA (0.54) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL6101068 0.83 GAA (0.73) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL11432095 0.82 GAA (0.68) CMA1GAAGSK3AGSK3BALDH1A1
SCHEMBL15858043 0.81 SIGMAR1 (0.51) CMA1GAAMAPTSMN1; SMN2SIGMAR1
SCHEMBL17897282 0.80 ALDH1A1 (0.52) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL25422927 0.80 GAA (0.44) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL3459387 0.80 L3MBTL1 (0.64) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL4509396 0.80 ACACB (0.64) CMA1GAAGSK3AGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958926-B1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO LTD (KR) 2023-03-08 EP disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof VASTHERA CO. LTD. (KR) 2019-10-22 US disclosed
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2018-10-25 US disclosed
CN-105229013-B Epidithio dioxypiperazine piperazine compound or its derivative, and application thereof 梨花女子大学校产学协力团 2018-09-14 CN disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-9765090-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2017-09-19 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF VASTHERA CO. LTD. (KR) 2017-08-24 US disclosed
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 US disclosed
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2016-08-04 US disclosed
EP-2958926-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF Ewha University-Industry Collaboration Foundation (KR) 2015-12-30 EP 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 (4 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-20170239261-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885GAA 4742/4885GSK3A 3469/4885
US-20160222031-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885GAA 4742/4885GSK3A 3469/4885
US-10450327-B2 Epidithiodioxopiperazine compound or its derivatives, and the use thereof PRDX1, PRDX2, PRDX5 CMA1 1986/4885GAA 4742/4885GSK3A 3469/4885
US-20180305377-A1 EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF PRDX1, PRDX2, PRDX5 CMA1 1986/4885GAA 4742/4885GSK3A 3469/4885

“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.