SCHEMBL20046813

SCHEMBL20046813

CN(C)CCNC1=C(C2=C(NCCN(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.62
MAPT P10636 7/20 0.47
NSD2 O96028 3/20 0.47
MITF O75030 2/20 0.47
APAF1 O14727 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BRCA1 P38398 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
CDC25A P30304 3/20 0.44
TOP1 P11387 1/20 0.43
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 4/20 0.42

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
SCHEMBL31029510 0.84 MAPT (0.66) MALT1MAPTNSD2MITFAPAF1
SCHEMBL10894074 0.84 MAPT (0.66) MALT1MAPTNSD2MITFAPAF1
SCHEMBL20046780 0.77 CDC25A (0.70) MAPTNSD2MITFAPAF1NPC1
SCHEMBL29587040 0.77 MALT1 (0.62) MALT1MAPTNSD2NPC1RAB9A
SCHEMBL7557626 0.77 MALT1 (0.62) MALT1MAPTNSD2NPC1RAB9A
SCHEMBL6052671 0.77 MALT1 (1.00) MALT1MAPTNSD2MITFAPAF1
SCHEMBL31218590 0.77 MALT1 (0.62) MALT1MAPTNSD2NPC1RAB9A
SCHEMBL9209216 0.74 TOP1 (0.59) MALT1MAPTBRCA1SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL9208228 0.73 TOP1 (0.58) MALT1MAPTBRCA1SMN1; SMN2HIF1A
SCHEMBL3418752 0.73 MAPT (0.63) MALT1MAPTNSD2RAB9ABRCA1

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 MALT1 1468/4885MAPT 4723/4885NSD2 327/4885
US-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia MCL1, NPM1, ABL1 MALT1 1468/4885MAPT 4723/4885NSD2 327/4885

“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.