SCHEMBL4788784

SCHEMBL4788784

O=C1CN(C2CCC2N2CC(=O)NC(=O)C2)CC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.41
TOP2B Q02880 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRBN Q96SW2 5/20 0.40
PTGS1 P23219 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.31

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
SCHEMBL4788789 1.00 TOP2A (0.41) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9139881 1.00 TOP2A (0.41) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9846852 0.92 ALDH1A1 (0.39) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9846838 0.92 ALDH1A1 (0.39) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9139167 0.84 TOP2A (0.41) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9139155 0.84 TOP2A (0.41) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL14529652 0.75 OPRM1 (0.41) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9250982 0.71 MGAM (0.36) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL1101973 0.63
SCHEMBL7539678 0.62 CRBN (0.42) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5438057-A Administering a 1,2-bis(3,5-dioxo-4-piperazin-1-yl cyclobutane or-propane for cardioprotection particularly in conjunction with adriamycins BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-08-01 US claimed
EP-0548345-A1 PHARMACEUTICAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1993-06-30 EP claimed
WO-1993000901-A1 PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-01-21 WO claimed
WO-2008134630-A1 DEXRAZOXANE COMPOUNDS FOR CARDIOPROTECTION APT PHARMACEUTICALS (US) 2008-11-06 WO disclosed
US-20080275036-A1 Prevention and treatment of cardiac conditions APT PHARMACEUTICALS, INC. (US) 2008-11-06 US disclosed
WO-2007053415-A2 AGENTS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2007-05-10 WO disclosed
US-5438057-A Administering a 1,2-bis(3,5-dioxo-4-piperazin-1-yl cyclobutane or-propane for cardioprotection particularly in conjunction with adriamycins BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-08-01 US disclosed
EP-0548345-A1 PHARMACEUTICAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1993-06-30 EP disclosed
WO-1993000901-A1 PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-01-21 WO disclosed
US-4275063-A 1,2-BIS(3,5-DIOXOPIPERAZIN-YL)PROPANE FOR TREATMENT OF CANCER IN HUMANS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-06-23 US 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-20080275036-A1 Prevention and treatment of cardiac conditions TNNT2, TNNI3, TNNC1 TOP2A 1849/4885TOP2B 1324/4885ALDH1A1 2494/4885

“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.