SCHEMBL20046774

SCHEMBL20046774

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 6/20 0.77
MAPT P10636 10/20 0.64
LMNA P02545 4/20 0.64
HTT P42858 4/20 0.64
CDC25B P30305 3/20 0.55
NSD2 O96028 5/20 0.52
HSP90AA1 P07900 3/20 0.52
G6PD P11413 1/20 0.52
CCR6 P51684 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
TLR9 Q9NR96 1/20 0.52
MAPK1 P28482 6/20 0.52
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
APAF1 O14727 4/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 4/20 0.52
CASP3 P42574 3/20 0.52
SENP8 Q96LD8 3/20 0.52
SENP7 Q9BQF6 3/20 0.52

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 0.91 CDC25A (0.70) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL17249976 0.87 CDC25A (1.00) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL20046743 0.78 CDC25A (0.55) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL15630326 0.77 CDC25A (0.81) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL16745430 0.76 IDO1 (0.75) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL29881216 0.76 IDO1 (0.75) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL20046820 0.76 CDC25A (0.51) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL20046782 0.75 MAPT (0.65) CDC25AMAPTLMNAHTTNSD2
SCHEMBL12283411 0.72 CDC25A (0.71) CDC25AMAPTLMNAHTTCDC25B
SCHEMBL15906861 0.71 MAPT (0.75) CDC25AMAPTLMNAHTTCDC25B

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 4723/4885LMNA 2368/4885

“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.