SCHEMBL20046961

SCHEMBL20046961

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAOA P21397 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 2/20 0.43
HIF1A Q16665 2/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CDC25B P30305 1/20 0.38
RXRA P19793 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CES2 O00748 1/20 0.37
APAF1 O14727 1/20 0.37
TERT O14746 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL20046758 0.91 MAOA (0.50) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL20046818 0.84 MEN1 (0.44) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL20046950 0.81 MALT1 (0.44) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL20046959 0.77 HKDC1 (0.50) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL31171425 0.69 MEN1 (0.55) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL20046813 0.69 MALT1 (0.62) MALT1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL3420793 0.68 ALDH1A1 (0.56) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL20046960 0.68 IDO1 (0.52) MALT1MAPTSMN1; SMN2MAOAHTT
Anthraquinone SCHEMBL27847594 0.66 CDC25B (0.75) MALT1MAPTSMN1; SMN2MAOAHTT
SCHEMBL10560410 0.66 MAOB (0.49) MAPTSMN1; SMN2ALDH1A1MAOBHIF1A

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 MALT1 1468/4885MAPT 4723/4885SMN1; SMN2 3156/4885

“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.