SCHEMBL20214237

SCHEMBL20214237

COc1ccc(C=CC(=O)NOCc2ccc(B(O)O)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 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
SCHEMBL20214236 1.00 NFE2L2 (0.54) NFE2L2HDAC3HDAC1HDAC2HDAC8
SCHEMBL20226796 0.79 HDAC3 (0.61) NFE2L2HDAC3HDAC1HDAC2HDAC8
SCHEMBL20214331 0.78 RAB9A (0.51) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL31482423 0.76 NFE2L2 (0.73) NFE2L2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15052623 0.74 NFE2L2 (0.69) NFE2L2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15052622 0.74 NFE2L2 (0.69) NFE2L2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL20214210 0.72 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL20214211 0.72 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL10562864 0.72 HDAC1 (0.72) NFE2L2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14880198 0.72 HDAC1 (0.72) NFE2L2HDAC3HDAC1HDAC2HDAC8

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-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA 2020-06-11 US claimed
WO-2018102261-A2 BORONIC DERIVATIVES HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA (US) 2018-06-07 WO claimed

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-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS BCOR, BRDT, HDAC1 NFE2L2 263/4885HDAC3 22/4885HDAC1 3/4885

“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.