Idarubicin

Idarubicin

SCHEMBL6342664

CC(=O)C1(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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 4/20 1.00
▸ MEN1 O00255 9/20 1.00
▸ THRB P10828 9/20 1.00
▸ KMT2A Q03164 9/20 1.00
▸ BLM P54132 8/20 1.00
▸ RECQL P46063 7/20 1.00
▸ MAPT P10636 6/20 1.00
▸ BRCA1 P38398 6/20 1.00
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ HIF1A Q16665 6/20 1.00
▸ MAPK1 P28482 5/20 1.00
▸ HTT P42858 5/20 1.00
▸ S100A4 P26447 5/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ USP2 O75604 4/20 1.00
▸ CYP1A2 P05177 4/20 1.00
▸ CHRM1 P11229 4/20 1.00
▸ STAT6 P42226 4/20 1.00
▸ APEX1 P27695 3/20 1.00
▸ NPC1 O15118 3/20 1.00

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 SCHEMBL3750 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL16606206 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL15159345 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL16609956 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL10061859 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL13488561 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL14071644 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL12257447 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL20541733 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Idarubicin SCHEMBL18738468 1.00 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838469-B2 Pharmaceutical composition that exhibits reduced side-effects comprising O-(3-piperidino-2-hydroxy-1-propyl)nicotinic acid amidoxime and a pyrimidine derivative with known antitumor activity N-GENE RESEARCH LABORATORIES INC. (US) 2005-01-04 — — US disclosed
EP-0993304-B1 PHARMACEUTICAL COMPOSITION HAVING ENHANCED ANTITUMOR ACTIVITY AND/OR REDUCED SIDE EFFECTS, CONTAINING AN ANTITUMOR AGENT AND AN HYDROXAMIC ACID DERIVATIVE N GENE RES LAB INC (US) 2003-04-02 — — EP disclosed
US-20030050345-A1 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroximic acid derivative N-GENE RESEARCH LABORATORIES, INC. 2003-03-13 — — 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-20030050345-A1 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroximic acid derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDGF, CA7 TOP2A 333/4885MEN1 403/4885THRB 3264/4885

“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.

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