SCHEMBL20046818

SCHEMBL20046818

CN(CCO)C1=C(C2=C(N(C)CCO)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
PABPC1 P11940 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 8/20 0.42
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
HIF1A Q16665 2/20 0.42
L3MBTL1 Q9Y468 5/20 0.40
RECQL P46063 3/20 0.40
BLM P54132 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CDC25B P30305 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
THRB P10828 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL20046961 0.84 MALT1 (0.45) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL20046950 0.80 MALT1 (0.44) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL20046758 0.76 MAOA (0.50) MEN1KMT2AMAOAMAOBALDH1A1
Anthraquinone SCHEMBL15309434 0.76 KMT2A (0.54) MEN1KMT2APABPC1MAOAALDH1A1
SCHEMBL20046959 0.75 HKDC1 (0.50) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL28055855 0.73 CYP1A2 (0.59) MEN1KMT2APABPC1MAOAALDH1A1
SCHEMBL30231841 0.72 ALDH1A1 (0.54) MEN1KMT2APABPC1MAOAALDH1A1
SCHEMBL15859643 0.72 MEN1 (0.72) MEN1KMT2APABPC1MAOAALDH1A1
SCHEMBL15859646 0.69 MEN1 (0.64) MEN1KMT2APABPC1MAOAALDH1A1
SCHEMBL31171425 0.68 MEN1 (0.55) MEN1KMT2AMAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-10-04 US disclosed
US-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-10 US disclosed
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 (2 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 MEN1 1754/4885KMT2A 498/4885PABPC1 3377/4885
US-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia MCL1, NPM1, ABL1 MEN1 1754/4885KMT2A 498/4885PABPC1 3377/4885

“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.