SCHEMBL20046955

SCHEMBL20046955

O=C1C(C2=C(N3CCC(O)CC3)C(=O)c3ccccc3C2=O)=C(N2CCC(O)CC2)C(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
POLB P06746 4/20 0.51
NSD2 O96028 4/20 0.51
APAF1 O14727 4/20 0.51
KMT2A Q03164 3/20 0.51
CASP3 P42574 2/20 0.51
GALK1 P51570 2/20 0.51
HKDC1 Q2TB90 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
RECQL P46063 2/20 0.51
THRB P10828 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
L3MBTL1 Q9Y468 6/20 0.50
GAA P10253 6/20 0.50
LMNA P02545 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50

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
SCHEMBL29615687 0.84 MAPT (0.49) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL28736614 0.84 MAPT (0.49) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL28628277 0.84 MAPT (0.72) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL20046757 0.84 MAPT (0.67) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL28443173 0.80 MAPT (0.58) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL28443171 0.79 MAPT (0.48) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL20046781 0.75 NSD2 (0.64) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL29881618 0.75 NSD2 (0.64) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL6660403 0.73 MAPT (0.69) MAPTPOLBNSD2APAF1KMT2A
SCHEMBL20046958 0.73 MAPT (0.60) MAPTNSD2APAF1GAALMNA

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 MAPT 4723/4885POLB 2716/4885NSD2 327/4885
US-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia MCL1, NPM1, ABL1 MAPT 4723/4885POLB 2716/4885NSD2 327/4885

“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.