SCHEMBL20046823

SCHEMBL20046823

CN1CCN(C2=C(C3=C(Cl)C(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.78
TDP2 O95551 2/20 0.78
PLA2G1B P04054 1/20 0.78
ATG4B Q9Y4P1 1/20 0.78
MITF O75030 4/20 0.50
APAF1 O14727 3/20 0.50
MAPT P10636 9/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 3/20 0.48
KMT2A Q03164 3/20 0.48
EGFR P00533 1/20 0.48
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
CCR6 P51684 2/20 0.47

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
SCHEMBL20046781 0.92 NSD2 (0.64) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL29881618 0.92 NSD2 (0.64) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL8651868 0.88 NSD2 (1.00) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL20046775 0.82 NSD2 (0.53) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL17249910 0.82 NSD2 (0.88) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL20046757 0.82 MAPT (0.67) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL17249924 0.78 TDP2 (0.71) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL20046946 0.76 IDO1 (0.58) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL29881216 0.75 IDO1 (0.75) NSD2TDP2PLA2G1BATG4BMITF
SCHEMBL16745430 0.75 IDO1 (0.75) NSD2TDP2PLA2G1BATG4BMITF

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 NSD2 327/4885TDP2 3309/4885PLA2G1B 2527/4885

“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.