SCHEMBL727291

SCHEMBL727291

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

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.67
TOP2B Q02880 3/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
PTGS1 P23219 2/20 0.50
LMNA P02545 2/20 0.50
CRBN Q96SW2 1/20 0.34
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
Icrf-193 SCHEMBL14006976 0.81 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL27318121 0.81 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL729019 0.81 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
Icrf-193 SCHEMBL438498 0.81 TOP2A (1.00) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL9846833 0.80 TOP2A (0.60) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL20158971 0.78 TOP2A (0.66) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL3683167 0.75 TOP2A (0.58) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL14006912 0.72 TOP2A (0.65) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL728997 0.72 TOP2A (0.73) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL13857354 0.72 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 14 patents. 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
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
US-9061038-B2 Doxorubicin adjuvants to reduce toxicity and methods for using the same TOSK, INCORPORATED (US) 2015-06-23 US disclosed
EP-2242360-B1 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME TOSK INC (US) 2015-04-08 EP disclosed
US-20120329744-A1 Doxorubicin Adjuvants to Reduce Toxicity and Methods for Using the Same TOSK, INCORPORATED 2012-12-27 US disclosed
US-8227517-B2 Doxorubicin adjuvants to reduce toxicity and methods for using the same TOSK, INCORPORATED (US) 2012-07-24 US disclosed
EP-2242360-A2 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME Tosk, Inc. (US) 2010-10-27 EP disclosed
US-20090325893-A1 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME TOSK, INCORPORATED 2009-12-31 US disclosed
WO-2009102808-A2 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME TOSK, INCORPORATED (US) 2009-08-20 WO disclosed
WO-1991000729-A2 BIS-DIOXOPIPERAZINES, AND THEIR USE AS PROTECTING AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-01-24 WO disclosed
EP-0409499-A2 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1991-01-23 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 (3 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-20120329744-A1 Doxorubicin Adjuvants to Reduce Toxicity and Methods for Using the Same TOP2A, TLR5, MYD88 TOP2A 1/4885TOP2B 5/4885ALDH1A1 2086/4885
US-20150258046-A1 Doxorubicin Adjuvants to Reduce Toxicity and Methods for Using the Same TOP2A, TLR5, MYD88 TOP2A 1/4885TOP2B 5/4885ALDH1A1 2086/4885
US-20090325893-A1 DOXORUBICIN ADJUVANTS TO REDUCE TOXICITY AND METHODS FOR USING THE SAME TOP2A, TLR5, MYD88 TOP2A 1/4885TOP2B 5/4885ALDH1A1 2086/4885

“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.