SCHEMBL20046780

SCHEMBL20046780

O=C1C(NCCO)=C(C2=C(NCCO)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 7/20 0.70
MAPT P10636 9/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPK1 P28482 5/20 0.60
LMNA P02545 5/20 0.60
GAA P10253 4/20 0.60
KDM4E B2RXH2 4/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
APAF1 O14727 4/20 0.60
TDP2 O95551 3/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
HTT P42858 4/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
THRB P10828 3/20 0.56
CASP6 P55212 2/20 0.56
TOP2B Q02880 1/20 0.49

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
SCHEMBL20046774 0.91 CDC25A (0.77) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL20046743 0.87 CDC25A (0.55) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL20046820 0.84 CDC25A (0.51) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL20046782 0.83 MAPT (0.65) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL17249976 0.82 CDC25A (1.00) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL20046813 0.77 MALT1 (0.62) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL17249978 0.77 CDC25A (0.59) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL20046948 0.76 HSP90AA1 (0.46) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL20046821 0.75 HSP90AA1 (0.44) CDC25AMAPTALDH1A1MAPK1LMNA
SCHEMBL29357976 0.74 TOP2B (0.81) CDC25AMAPTALDH1A1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-10 US disclosed
WO-2018067842-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-04-12 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-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA MCL1, NPM1, ABL1 CDC25A 938/4885MAPT 4723/4885ALDH1A1 217/4885

“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.