SCHEMBL20214591

SCHEMBL20214591

CC1(C)OB(c2ccc(CONC(=O)c3ccc(CC(=O)N(CCO)c4ccccc4)cc3)cc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.54
HDAC6 Q9UBN7 8/20 0.54
HDAC3 O15379 4/20 0.54
HDAC4 P56524 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
NCOR2 Q9Y618 1/20 0.54
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.46
HDAC7 Q8WUI4 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL9985455 0.83 RAB9A (0.61) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL34464780 0.83 RAB9A (0.61) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL20214305 0.80 HDAC1 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL20214552 0.76 RAB9A (0.62) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL20214793 0.74 CA1 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL22071360 0.74 CA1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL16125583 0.73 HDAC1 (0.78) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL20214665 0.73 HDAC6 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL20214628 0.73 HDAC3 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL22028052 0.72 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC2

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 5 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
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents XAVIER UNIVERSITY OF LOUISIANA (US) 2021-06-29 US disclosed
US-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA 2020-06-11 US disclosed
WO-2018102261-A2 BORONIC DERIVATIVES HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA (US) 2018-06-07 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-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS BCOR, BRDT, HDAC1 HDAC1 3/4885HDAC6 26/4885HDAC3 22/4885
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents BCOR, BRDT, HDAC1 HDAC1 3/4885HDAC6 26/4885HDAC3 22/4885

“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.