SCHEMBL728996

SCHEMBL728996

O=C1CN(CCN2CC(=O)NC(=O)C2)CC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.50
TOP2B Q02880 3/20 0.50
PTGS1 P23219 2/20 0.50
LMNA P02545 2/20 0.50
CRBN Q96SW2 4/20 0.48
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL9752550 0.89 TOP2A (0.47) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL5707893 0.85 TOP2A (0.48) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL29130872 0.85 PTGS1 (0.44) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL11383117 0.81 PTGS1 (0.46) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL31377154 0.79 APEX1 (0.42) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL11023978 0.79 ALDH1A1 (0.47) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL1101973 0.79
SCHEMBL16349791 0.78 TOP2A (0.52) TOP2ATOP2BPTGS1LMNACRBN
SCHEMBL15548784 0.78 TOP2A (0.47) TOP2ATOP2BPTGS1LMNACRBN
Ethane SCHEMBL27676633 0.77 CRBN (0.55) TOP2ATOP2BPTGS1LMNACRBN

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524851-A 2011-09-08 JP claimed
EP-2242360-A2 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME Tosk, Inc. (US) 2010-10-27 EP claimed
WO-2009102808-A2 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME TOSK, INCORPORATED (US) 2009-08-20 WO claimed
JP-62135472-A None JP disclosed
JP-60097963-A None JP disclosed
US-20230233501-A1 COMPOSITIONS FOR INHIBITING 3' REPAIR EXONUCLEASE 2 AND METHODS OF SCREENING FOR SUCH COMPOSITIONS UNIV TEXAS (US) 2023-07-27 US disclosed
US-11612580-B2 Compositions for inhibiting 3′ repair exonuclease 2 and methods of screening for such compositions THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-03-28 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9468613-B2 Doxorubicin adjuvants to reduce toxicity and methods for using the same TOSK, INC. (US) 2016-10-18 US disclosed
US-20150258046-A1 Doxorubicin Adjuvants to Reduce Toxicity and Methods for Using the Same TOSK, INC. 2015-09-17 US disclosed
JP-S62135472-A NOVEL 1,2-BIS-3,5-DIOXOPIPERAZINYLETHANE DERIVATIVE YAKULT HONSHA CO LTD 1987-06-18 JP disclosed
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US disclosed
EP-0197752-A2 Pharmaceutical compositions NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-10-15 EP disclosed
JP-S6097963-A BIS-DIOXOPIPERAZINE DERIVATIVE, ITS PRODUCTION AND ANTITUMOR AGENT COMPOSED THEREOF ZENYAKU KOGYO KK 1985-05-31 JP disclosed
EP-0140327-A2 Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 EP disclosed
EP-0125475-A1 Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1984-11-21 EP disclosed
US-4404381-A Novel 3,5-diketo-piperazinyl compounds containing epoxide substituted imides THE DOW CHEMICAL COMPANY (US) 1983-09-13 US 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
JP-S0697963-A 0001-01-01 JP 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-20150258046-A1 Doxorubicin Adjuvants to Reduce Toxicity and Methods for Using the Same TOP2A, TLR5, MYD88 TOP2A 1/4885TOP2B 5/4885PTGS1 384/4885

“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.