SCHEMBL20046781

SCHEMBL20046781

O=C1C(Cl)=C(C2=C(N3CC3)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.64
TDP2 O95551 3/20 0.64
PLA2G1B P04054 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
MAPT P10636 8/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 3/20 0.52
KMT2A Q03164 3/20 0.52
APAF1 O14727 3/20 0.52
CASP3 P42574 2/20 0.52
GALK1 P51570 2/20 0.52
HKDC1 Q2TB90 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
SAE1 Q9UBE0 1/20 0.52

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
SCHEMBL29881618 1.00 NSD2 (0.64) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL20046823 0.92 NSD2 (0.78) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL20046757 0.89 MAPT (0.67) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL20046775 0.86 NSD2 (0.53) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL16745430 0.81 IDO1 (0.75) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL29881216 0.81 IDO1 (0.75) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL8568869 0.79 NSD2 (0.73) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL20046946 0.78 IDO1 (0.58) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL8651868 0.78 NSD2 (1.00) NSD2TDP2PLA2G1BATG4BMAPT
SCHEMBL17249912 0.78 NSD2 (0.71) NSD2TDP2PLA2G1BATG4BMAPT

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.