SCHEMBL20206982

SCHEMBL20206982

CCCNC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
GAA P10253 3/20 0.57
POLB P06746 3/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NSD2 O96028 1/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57
MAPT P10636 1/20 0.57
ALPG P10696 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
CASP6 P55212 1/20 0.57
KMT2A Q03164 1/20 0.51
TOP1 P11387 1/20 0.48
TOP2A P11388 1/20 0.48

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
SCHEMBL15495494 0.90 L3MBTL1 (0.47) KDM4EL3MBTL1GAAPOLBALDH1A1
SCHEMBL15069976 0.89 SMN1; SMN2 (0.62) KDM4EL3MBTL1GAAPOLBALDH1A1
SCHEMBL13286830 0.88 KDM4E (0.65) KDM4EL3MBTL1GAAPOLBALDH1A1
SCHEMBL15495302 0.87 BCL2 (0.46) KDM4EL3MBTL1GAAPOLBALDH1A1
SCHEMBL27924881 0.86 NAAA (0.61) L3MBTL1SMN1; SMN2ESR1
SCHEMBL15682852 0.86 NAAA (0.61) L3MBTL1SMN1; SMN2ESR1
SCHEMBL27788015 0.86 NAAA (0.61) L3MBTL1SMN1; SMN2ESR1
SCHEMBL10933369 0.86 NAAA (0.61) L3MBTL1SMN1; SMN2ESR1
SCHEMBL27766436 0.86 NAAA (0.61) L3MBTL1SMN1; SMN2ESR1
SCHEMBL27788014 0.86 NAAA (0.61) L3MBTL1SMN1; SMN2ESR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544952-B1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIV ANTWERPEN (BE) 2024-11-06 EP disclosed
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors UNIVERSITAIR ZIEKENHUIS ANTWERPEN (BE) 2020-08-11 US disclosed
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors UNIVERSITAIR ZIEKENHUIS ANTWERPEN (BE) 2020-08-11 US disclosed
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2019-09-19 US disclosed
US-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2019-09-19 US disclosed
WO-2018096088-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2018-05-31 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-20190284130-A1 HALOGENATED BENZOTROPOLONES AS ATG4B INHIBITORS ATG4B, ATG7, ATG4A KDM4E 962/4885L3MBTL1 1773/4885GAA 1231/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 KDM4E 1039/4885L3MBTL1 2480/4885GAA 1122/4885

“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.