SCHEMBL20214331

SCHEMBL20214331

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMPD1 P17405 4/20 0.50
NR1H4 Q96RI1 1/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CYP3A4 P08684 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL20214216 0.88 HDAC3 (0.64) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL20214231 0.83 RAB9A (0.71) RAB9ANPC1LMNAALDH1A1MAPT
SCHEMBL20214236 0.78 NFE2L2 (0.54) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL20214237 0.78 NFE2L2 (0.54) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL6536150 0.77 RAB9A (0.73) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL20214809 0.77 CA1 (0.46) RAB9ANPC1TDP1SMPD1NR1H4
SCHEMBL20214800 0.74 HDAC6 (0.67) RAB9ANPC1NR1H4HDAC1HDAC8
SCHEMBL28961053 0.73 CYP1A2 (0.63) NR1H4HDAC3HDAC2CYP3A4TSHR
SCHEMBL29412632 0.73 CYP1A2 (0.63) RAB9ANPC1NR1H4HDAC3HDAC2
SCHEMBL2446906 0.73 CYP1A2 (0.63) RAB9ANPC1NR1H4HDAC3HDAC2

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 RAB9A 3029/4885NPC1 801/4885TDP1 402/4885
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents BCOR, BRDT, HDAC1 RAB9A 3029/4885NPC1 801/4885TDP1 402/4885

“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.