Doxorubicin

Doxorubicin

SCHEMBL6500136

CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Doxorubicin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A known ✓ P11388 5/20 0.66
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
THRB P10828 7/20 0.66
BLM P54132 7/20 0.66
RECQL P46063 6/20 0.66
HIF1A Q16665 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
BRCA1 P38398 6/20 0.66
TDP1 Q9NUW8 5/20 0.66
MAPT P10636 5/20 0.66
MAPK1 P28482 4/20 0.66
STAT6 P42226 4/20 0.66
CHRM1 P11229 3/20 0.66
TBXA2R P21731 3/20 0.66
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 3/20 0.66
ABCB1 P08183 3/20 0.66
PTGS1 P23219 3/20 0.66
HTT P42858 3/20 0.66

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
Epirubicin SCHEMBL19876659 1.00 MEN1 (0.66) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL4020691 0.99 MEN1 (0.67) MEN1KMT2ATHRBBLMRECQL
Daunorubicin SCHEMBL3503884 0.95 MEN1 (0.65) MEN1KMT2ATHRBBLMRECQL
Zorubicin SCHEMBL168293 0.91 S100A4 (0.61) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL6817169 0.90 MEN1 (0.55) MEN1KMT2ATHRBBLMRECQL
Idarubicin SCHEMBL17493323 0.90 MEN1 (0.61) MEN1KMT2ATHRBBLMRECQL
Idarubicin SCHEMBL16827021 0.89 ECE1 (0.62) MEN1KMT2ATHRBBLMRECQL
Valrubicin SCHEMBL2334615 0.85 MEN1 (0.71) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL5984229 0.84 MEN1 (0.56) MEN1KMT2ATHRBBLMRECQL
Epirubicin SCHEMBL23365786 0.81 MEN1 (1.00) MEN1KMT2ATHRBBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108785305-A The heterocycle inhibitor of glutaminase 卡利泰拉生物科技公司 2018-11-13 CN claimed
US-20160024216-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS CROWN BIOSCIENCE, INC. (TAICANG) (CN) 2016-01-28 US claimed
WO-2014153018-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS CROWN BIOSCIENCE, INC. (US) 2014-09-25 WO claimed
WO-2014139131-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS CROWN BIOSCIENCE, INC. (US) 2014-09-18 WO claimed
US-20240018224-A1 ANTI-GPC3 ANTIBODY YAMAGUCHI UNIVERSITY (JP) 2024-01-18 US disclosed
US-20230257705-A1 CHIMERIC ANTIGEN RECEPTOR-EXPRESSING IMMUNOCOMPETENT CELLS UNIV KYOTO (JP) 2023-08-17 US disclosed
US-11718663-B2 Anti-GPC3 antibody YAMAGUCHI UNIVERSITY (JP) 2023-08-08 US disclosed
EP-4170020-A1 CHIMERIC ANTIGEN RECEPTOR-EXPRESSING IMMUNOCOMPETENT CELLS Kyoto University (JP) 2023-04-26 EP disclosed
US-20230071098-A1 ANTI-GPC3 SINGLE-CHAIN ANTIBODY-CONTAINING CAR NOILE-IMMUNE BIOTECH, INC. (JP) 2023-03-09 US disclosed
CN-111405895-B Controlled release pharmaceutical composition and preparation method thereof 江苏恒瑞医药股份有限公司 2022-10-21 CN disclosed
EP-3597742-B1 CAR EXPRESSION VECTOR AND CAR-EXPRESSING T CELLS UNIV YAMAGUCHI (JP) 2022-07-13 EP disclosed
US-20210309712-A1 CAR-EXPRESSING T CELLS AND CAR EXPRESSION VECTOR NOILE-IMMUNE BIOTECH, INC. (JP) 2021-10-07 US disclosed
EP-3205720-B1 CAR EXPRESSION VECTOR AND CAR-EXPRESSING T CELLS UNIV YAMAGUCHI (JP) 2019-09-11 EP disclosed
US-10316102-B2 Car expression vector and car-expressing T cells YAMAGUCHI UNIVERSITY (JP) 2019-06-11 US disclosed
US-20170291953-A1 CAR EXPRESSION VECTOR AND CAR-EXPRESSING T CELLS YAMAGUCHI UNIVERSITY (JP) 2017-10-12 US disclosed
EP-3205720-A1 CAR EXPRESSION VECTOR AND CAR-EXPRESSING T CELLS Yamaguchi University (JP) 2017-08-16 EP disclosed
US-20160024216-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS CROWN BIOSCIENCE, INC. (TAICANG) (CN) 2016-01-28 US disclosed
WO-2014153018-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS CROWN BIOSCIENCE, INC. (US) 2014-09-25 WO disclosed
WO-2014139131-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS CROWN BIOSCIENCE, INC. (US) 2014-09-18 WO disclosed
WO-2005094824-A1 METHODS OF ENHANCING CANCER THERAPY BY PROTECTING NERVE CELLS EAST CAROLINA UNIVERSITY (US) 2005-10-13 WO 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-20160024216-A1 USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS EGFR, ERBB2, ERBB4 TOP2A 4031/4885MEN1 4300/4885KMT2A 2393/4885
US-11718663-B2 Anti-GPC3 antibody GOLGA3, CD99, GLG1 TOP2A 4049/4885MEN1 3181/4885KMT2A 2729/4885
US-20230071098-A1 ANTI-GPC3 SINGLE-CHAIN ANTIBODY-CONTAINING CAR IFNG, ICOS, STING1 TOP2A 2768/4885MEN1 3445/4885KMT2A 4072/4885
US-20240018224-A1 ANTI-GPC3 ANTIBODY GOLGA3, CD99, GLG1 TOP2A 4049/4885MEN1 3181/4885KMT2A 2729/4885

“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.