SCHEMBL20046782

SCHEMBL20046782

COc1ccc2c(c1)C(=O)C(NCCO)=C(C1=C(NCCO)C(=O)c3ccccc3C1=O)C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
MAPK1 P28482 5/20 0.65
GAA P10253 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.65
L3MBTL1 Q9Y468 4/20 0.65
APAF1 O14727 2/20 0.65
TDP2 O95551 2/20 0.65
CASP6 P55212 2/20 0.65
THRB P10828 1/20 0.65
CDC25A P30304 2/20 0.51
LMNA P02545 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HSP90AA1 P07900 6/20 0.47
HSP90AB1 P08238 6/20 0.47

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
SCHEMBL20046780 0.83 CDC25A (0.70) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL20046743 0.80 CDC25A (0.55) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL20046774 0.75 CDC25A (0.77) MAPTMAPK1GAAMEN1KMT2A
2-Methoxyanthraquinone SCHEMBL222927 0.75 PTPN1 (0.60) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL23111380 0.74 PTPRC (0.59) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL4645032 0.74 PTPN1 (0.58) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL20046820 0.72 CDC25A (0.51) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL16745457 0.72 ALKBH3 (0.52) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL2997273 0.70 PTPN1 (0.54) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL17439396 0.70 MAPT (0.55) MAPTMAPK1GAAKDM4EALDH1A1

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 MAPT 4723/4885MAPK1 1131/4885GAA 4338/4885

“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.