SCHEMBL11029176

SCHEMBL11029176

CN(C)CCOc1cccc(N2CCC(Nc3ccc(C(=O)NO)cc3)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 1.00
HDAC8 Q9BY41 13/20 0.66
HDAC1 Q13547 11/20 0.66
ROCK2 O75116 2/20 0.46
FAAH O00519 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL11029411 0.85 HDAC6 (0.76) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11032801 0.83 HDAC6 (0.73) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11030820 0.82 HDAC6 (0.78) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11030719 0.80 HDAC6 (1.00) HDAC6HDAC8HDAC1
SCHEMBL11891155 0.80 HDAC6 (0.80) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11032856 0.79 HDAC6 (0.78) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11032477 0.78 HDAC6 (0.74) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11891202 0.78 HDAC6 (1.00) HDAC6HDAC8HDAC1
SCHEMBL11027145 0.78 HDAC6 (0.81) HDAC6HDAC8HDAC1ROCK2
SCHEMBL11030373 0.78 HDAC6 (0.77) HDAC6HDAC8HDAC1ROCK2

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 16 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
EP-2665706-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 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
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO 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
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
EP-2665706-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 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
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098132-A1 NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO 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.