Sugi Predict

Sugi Predict / Compounds / SCHEMBL20046950

SCHEMBL20046950

SCHEMBL20046950

COCCN(C)C1=C(C2=C(N(C)CCOC)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.44
▸ CDC25B P30305 4/20 0.42
▸ CDC25A P30304 3/20 0.42
▸ MAP2K7 O14733 2/20 0.42
▸ MAPT P10636 7/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MITF O75030 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 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 0.81 MALT1 (0.45) MALT1CDC25BMAPTALDH1A1SMN1; SMN2
SCHEMBL20046818 0.80 MEN1 (0.44) MALT1CDC25BCDC25AMAP2K7MAPT
SCHEMBL20046758 0.74 MAOA (0.50) MALT1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL20046959 0.73 HKDC1 (0.50) MALT1CDC25BCDC25AMAP2K7MAPT
SCHEMBL21539687 0.70 GPBAR1 (0.38) MALT1CDC25BCDC25AMAP2K7MAPT
SCHEMBL27903738 0.70 MALT1 (0.41) MALT1CDC25BCDC25AMAP2K7MAPT
SCHEMBL7733730 0.69 KMT2A (0.42) ALDH1A1HTTKDM4ETP53LMNA
SCHEMBL6192740 0.68 PAX8 (0.53) CDC25BCDC25AMAPTALDH1A1SMN1; SMN2
SCHEMBL7243914 0.67 MEN1 (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL20043014 0.67 MAOA (0.49) MALT1CDC25BCDC25AMAP2K7MAPT

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 1468/4885CDC25B 502/4885CDC25A 938/4885
US-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia MCL1, NPM1, ABL1 MALT1 1468/4885CDC25B 502/4885CDC25A 938/4885

“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.