Idarubicin

Idarubicin

SCHEMBL373859

CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Idarubicin. 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 0.71
MEN1 O00255 10/20 0.71
THRB P10828 10/20 0.71
KMT2A Q03164 10/20 0.71
BLM P54132 9/20 0.71
RECQL P46063 8/20 0.71
MAPT P10636 7/20 0.71
BRCA1 P38398 7/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
HIF1A Q16665 7/20 0.71
MAPK1 P28482 6/20 0.71
HTT P42858 5/20 0.71
CYP3A4 P08684 5/20 0.71
USP2 O75604 5/20 0.71
S100A4 P26447 5/20 0.71
PAX8 Q06710 5/20 0.71
STAT6 P42226 5/20 0.71
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
CYP1A2 P05177 4/20 0.71

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
Idarubicin SCHEMBL28122978 0.85 MEN1 (0.94) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL27723076 0.85 MEN1 (0.51) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL15159345 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL16606206 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL12257447 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL3750 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL7029978 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL18738468 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL20541733 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL13575798 0.84 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021894-A1 SEPTIN INHIBITORS FOR TREATMENT OF CANCERS University of Rochester (US) 2022-07-06 EP disclosed
WO-2021042022-A1 SEPTIN INHIBITORS FOR TREATMENT OF CANCERS UNIVERSITY OF ROCHESTER (US) 2021-03-04 WO disclosed
US-9220714-B2 Nitrofuran compounds for the treatment of cancer and angiogenesis BROWN UNIVERSITY (US) 2015-12-29 US disclosed
US-20130331383-A1 NITROFURAN COMPOUNDS FOR THE TREATMENT OF CANCER AND ANGIOGENESIS BROWN UNIVERSITY (US) 2013-12-12 US disclosed
US-8470815-B2 Nitrofuran compounds for the treatment of cancer and angiogenesis BROWN UNIVERSITY (US) 2013-06-25 US disclosed
EP-2004177-B1 NITROFURAN COMPOUNDS FOR THE TREATMENT OF CANCER AND ANGIOGENESIS WOMEN AND INFANTS HOSPITAL OF RHODE ISLAND INC (US) 2012-01-25 EP disclosed
US-20110288080-A1 Nitrofuran Compounds for the Treatment of Cancer and Angiogenesis BROWN UNIVERSITY 2011-11-24 US disclosed
EP-2004177-A2 NITROFURAN COMPOUNDS FOR THE TREATMENT OF CANCER AND ANGIOGENESIS Women and Infants Hospital of Rhode Island Inc. (US) 2008-12-24 EP disclosed
WO-2007108947-A2 NITROFURAN COMPOUNDS FOR THE TREATMENT OF CANCER AND ANGIOGENESIS WOMEN AND INFANTS HOSPITAL OF RHODE ISLAND, INC. (US) 2007-09-27 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 (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-20110288080-A1 Nitrofuran Compounds for the Treatment of Cancer and Angiogenesis NNMT, NQO1, NOS2 TOP2A 1842/4885MEN1 433/4885THRB 4523/4885

“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.