SCHEMBL20206971

SCHEMBL20206971

O=C(NCc1ccccc1)c1cc(O)c(=O)c2c(O)c(O)c(Br)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TTR P02766 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.45
CA2 P00918 1/20 0.45
HDAC1 Q13547 1/20 0.45
EGFR P00533 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL20206969 0.83 PTPN11 (0.46)
SCHEMBL20206975 0.81 PTPN11 (0.44) L3MBTL1
SCHEMBL20206972 0.80 KDM4E (0.47) HPGDLMNAKMT2A
SCHEMBL20206970 0.79 TLR2 (0.45) SMN1; SMN2CA2
SCHEMBL20187628 0.78 PTPN11 (0.68) HPGDALDH1A1SMN1; SMN2LMNATTR
SCHEMBL6567318 0.78 HDAC6 (0.61) HPGDALDH1A1CYP2C19SMN1; SMN2LMNA
SCHEMBL20207162 0.77 HDAC2 (0.60) HPGDALDH1A1CYP2C19LMNAHDAC2
SCHEMBL20207003 0.75 PTPN11 (0.49)
SCHEMBL20206986 0.74 PTPN11 (0.68)
SCHEMBL2915318 0.72 HDAC6 (0.74) HPGDALDH1A1SMN1; SMN2LMNAHDAC2

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 HPGD 2238/4885ALDH1A1 3918/4885CYP2C19 2589/4885
US-10738002-B2 Halogenated benzotropolones as ATG4B inhibitors ATG4B, ATG7, BECN1 HPGD 1656/4885ALDH1A1 3405/4885CYP2C19 1757/4885

“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.