SCHEMBL20046819

SCHEMBL20046819

C[C@@H](CO)NC1=C(C2=C(N[C@@H](C)CO)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.45
▸ HSP90AB1 P08238 9/20 0.45
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CDC25A P30304 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ TDP2 O95551 2/20 0.40
▸ GAA P10253 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
SCHEMBL22390156 1.00 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL20046821 0.72 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL6664912 0.72 MAPT (0.58) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20046780 0.71 CDC25A (0.70) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
Anthraquinone SCHEMBL27767988 0.69 MEN1 (0.57) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL28071929 0.68 ADRA2A (0.47) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL10696557 0.68 SIGMAR1 (0.46) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL632612 0.67 TDP1 (0.56) HSP90AA1ALDH1A1LMNAMEN1HPGD
SCHEMBL632333 0.67 TDP1 (0.56) HSP90AA1ALDH1A1LMNAMEN1HPGD
SCHEMBL632334 0.67 TDP1 (0.56) HSP90AA1ALDH1A1LMNAMEN1HPGD

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 HSP90AA1 2600/4885HSP90AB1 2440/4885MAPT 4723/4885

“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.

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