SCHEMBL20046958

SCHEMBL20046958

O=C1C(C2=C(N3CCN(CCO)CC3)C(=O)c3ccccc3C2=O)=C(N2CCN(CCO)CC2)C(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HTT P42858 2/20 0.43
BCL2A1 Q16548 1/20 0.42
APAF1 O14727 1/20 0.42
DHODH Q02127 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CDC25B P30305 1/20 0.42
TERT O14746 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL20046775 0.92 NSD2 (0.53) MAPTNPSR1LMNAGAATDP1
SCHEMBL20046949 0.86 CDC25B (0.58) MAPTNPSR1LMNAGAATDP1
SCHEMBL17250407 0.85 NSD2 (0.67) MAPTNPSR1LMNATDP2NSD2
SCHEMBL20046757 0.83 MAPT (0.67) MAPTNPSR1LMNAGAATDP1
SCHEMBL17250432 0.77 NSD2 (0.63) MAPTNPSR1LMNATDP2NSD2
SCHEMBL6661677 0.75 MAPT (1.00) MAPTNPSR1LMNATDP1NSD2
SCHEMBL20046781 0.74 NSD2 (0.64) MAPTNPSR1LMNAGAATDP1
SCHEMBL31628964 0.74 MAPT (0.55) MAPTNPSR1LMNAHTTTERT
SCHEMBL29881618 0.74 NSD2 (0.64) MAPTNPSR1LMNAGAATDP1
SCHEMBL20046955 0.73 MAPT (0.51) MAPTNPSR1LMNAGAATDP1

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 MAPT 4723/4885NPSR1 1880/4885LMNA 2368/4885

“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.