SCHEMBL3683167

SCHEMBL3683167

CCC(N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.58
TOP2B Q02880 3/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PTGS1 P23219 2/20 0.52
LMNA P02545 2/20 0.52
CRBN Q96SW2 3/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP1A2 P05177 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
SCHEMBL20158971 0.80 TOP2A (0.66) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL727291 0.75 TOP2A (0.67) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9752758 0.74 TOP2A (0.62) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL727062 0.74 TOP2A (0.62) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL729019 0.73 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL27318121 0.73 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL728997 0.73 TOP2A (0.73) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL14006976 0.73 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL438498 0.73 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL13857354 0.73 TOP2A (0.73) TOP2ATOP2BALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012081036-A2 A PROCESS FOR PREPARATION OF 4,4'-(1-METHYL-1,2-ETHANDIYL)-BIS-(2,6-PIPERAZINEDIONE) SEQUENT SCIENTIFIC LIMITED (IN) 2012-06-21 WO claimed
WO-2003075910-A1 PREVENTING AND/OR TREATING VASCULAR DISEASE, CARDIOMYOPATHY AND/OR ASSOCIATED HEART FAILURE PROTEMIX CORPORATION LIMITED (NZ) 2003-09-18 WO claimed
WO-2019040724-A1 SMALL MOLECULE INHIBITORS OF MYC AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-28 WO disclosed
WO-2012081036-A2 A PROCESS FOR PREPARATION OF 4,4'-(1-METHYL-1,2-ETHANDIYL)-BIS-(2,6-PIPERAZINEDIONE) SEQUENT SCIENTIFIC LIMITED (IN) 2012-06-21 WO disclosed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
WO-2008134630-A1 DEXRAZOXANE COMPOUNDS FOR CARDIOPROTECTION APT PHARMACEUTICALS (US) 2008-11-06 WO disclosed
WO-2007053415-A2 AGENTS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2007-05-10 WO disclosed
US-20050245466-A1 Use of topoisomerase inhibitors and heat shock protein 90 inhibitors for use in chemotherapy THE UNIVERSITY OF LIVERPOOL (GB) 2005-11-03 US disclosed
EP-1490051-A1 USE OF TOPOISOMERASE INHIBITORS AND HEAT SHOCK PROTEIN 90 INHIBITORS FOR USE IN CHEMOTHERAPY THE UNIVERSITY OF LIVERPOOL (GB) 2004-12-29 EP disclosed
WO-2003099296-A1 METHOD OF TREATING MULTIPLE SCLEROSIS PHARMACIA & UPJOHN COMPANY (US) 2003-12-04 WO disclosed
WO-2003082266-A1 USE OF TOPOISOMERASE INHIBITORS AND HEAT SHOCK PROTEIN 90 INHIBITORS FOR USE IN CHEMOTHERAPY UNIVERSITY OF LIVERPOOL (GB) 2003-10-09 WO disclosed
EP-0330381-B1 Process for preparing bis (3,5-dioxopiperazinyl) alkanes or alkenes ERBAMONT INC (US) 1995-05-24 EP disclosed
WO-1993021938-A1 METHODS FOR TREATING CANCER USING HIGH-DOSE EPIRUBICIN ADRIA LABORATORIES (US) 1993-11-11 WO disclosed
WO-1991000729-A2 BIS-DIOXOPIPERAZINES, AND THEIR USE AS PROTECTING AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-01-24 WO disclosed
WO-1991000854-A1 N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-01-24 WO disclosed
US-4963679-A Process for preparing bis (3,5-dioxopiperazinyl) alkanes or alkenes ERBAMONT, INC. (US) 1990-10-16 US disclosed
EP-0330381-A1 Process for preparing bis (3,5-dioxopiperazinyl) alkanes or alkenes ERBAMONT, INC. (US) 1989-08-30 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 (1 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-20050245466-A1 Use of topoisomerase inhibitors and heat shock protein 90 inhibitors for use in chemotherapy HSP90AB2P, HSP90AB1, HSP90AA1 TOP2A 4/4885TOP2B 11/4885ALDH1A1 3181/4885

“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.