SCHEMBL20046960

SCHEMBL20046960

CN(C)C1=C(C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
DNMT1 P26358 1/20 0.52
DNMT3L Q9UJW3 1/20 0.52
DNMT3A Q9Y6K1 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 8/20 0.46
HTT P42858 6/20 0.46
LMNA P02545 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NSD2 O96028 4/20 0.46
MAPK1 P28482 4/20 0.46
RAB9A P51151 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL20046959 0.89 HKDC1 (0.50) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL31290114 0.85 IDO1 (0.60) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL2462086 0.85 IDO1 (0.60) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL16745430 0.82 IDO1 (0.75) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL29881216 0.82 IDO1 (0.75) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL31171425 0.82 MEN1 (0.55) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL20046758 0.81 MAOA (0.50) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL29967684 0.78 HKDC1 (0.51) IDO1DNMT1DNMT3LDNMT3AMAOA
SCHEMBL20046946 0.76 IDO1 (0.58) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL16745426 0.72 APAF1 (0.58) IDO1DNMT1DNMT3LDNMT3AMAOA

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 IDO1 494/4885DNMT1 1810/4885DNMT3L 4444/4885

“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.