SCHEMBL11031776

SCHEMBL11031776

CC(C)(C)c1ccc(N2CCC(Nc3ccc(C(=O)NO)cc3)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.80
HDAC8 Q9BY41 14/20 0.80
HDAC1 Q13547 12/20 0.80
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL11026283 0.89 HDAC6 (1.00) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11891361 0.87 HDAC6 (0.80) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11027466 0.86 HDAC6 (1.00) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11031949 0.86 HDAC6 (0.79) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11891202 0.86 HDAC6 (1.00) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11029934 0.85 HDAC6 (0.78) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11030802 0.84 HDAC6 (1.00) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11030169 0.83 HDAC6 (1.00) HDAC6HDAC8HDAC1CA12CA1
SCHEMBL11028581 0.83 HDAC6 (0.70) HDAC6HDAC8HDAC1USP2MAPT
SCHEMBL11028067 0.82 HDAC6 (0.69) HDAC6HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665706-B1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-10-22 EP claimed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US claimed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US claimed
EP-2665706-B1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404738-B2 4-amino-N-hydroxy-benzamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US disclosed
US-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2012-07-26 US 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 (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-20120190700-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HRH4, H1-4, HNMT HDAC6 155/4885HDAC8 107/4885HDAC1 71/4885

“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.