SCHEMBL16102129

SCHEMBL16102129

O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CSCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 1.00
HDAC10 Q969S8 11/20 1.00
HDAC1 Q13547 17/20 0.74
HDAC8 Q9BY41 6/20 0.74
HDAC3 O15379 5/20 0.74
HDAC4 P56524 3/20 0.74
HDAC7 Q8WUI4 3/20 0.74
HDAC9 Q9UKV0 3/20 0.74
HDAC5 Q9UQL6 3/20 0.74
HDAC11 Q96DB2 2/20 0.74
HDAC2 Q92769 4/20 0.67
NCOR2 Q9Y618 3/20 0.67

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
SCHEMBL16127514 0.89 HDAC6 (0.79) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL17420820 0.86 HDAC6 (0.76) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL16102134 0.85 HDAC6 (1.00) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL12938861 0.85 HDAC6 (1.00) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL1367032 0.84 HDAC6 (0.98) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL16127605 0.82 HDAC6 (0.70) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL12951840 0.80 HDAC6 (1.00) HDAC6HDAC10HDAC1HDAC8HDAC3
Tubastatin A SCHEMBL29356061 0.80 HDAC6 (1.00) HDAC6HDAC10HDAC1HDAC8HDAC3
Tubastatin A SCHEMBL1057119 0.80 HDAC6 (1.00) HDAC6HDAC10HDAC1HDAC8HDAC3
SCHEMBL16101803 0.80 HDAC6 (1.00) HDAC6HDAC10HDAC1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976344-B1 HDAC6 INHIBITORS AND USES THEREOF UNIV GENT (BE) 2018-05-16 EP disclosed
EP-2976344-B1 HDAC6 INHIBITORS AND USES THEREOF UNIV GENT (BE) 2018-05-16 EP disclosed
US-9586973-B2 HDAC6 inhibitors and uses thereof UNIVERSITEIT GENT (BE) 2017-03-07 US disclosed
US-9586973-B2 HDAC6 inhibitors and uses thereof UNIVERSITEIT GENT (BE) 2017-03-07 US disclosed
EP-2976344-A1 HDAC6 INHIBITORS AND USES THEREOF Universiteit Gent (BE) 2016-01-27 EP disclosed
US-20160009730-A1 HDAC6 INHIBITORS AND USES THEREOF UNIVERSITEIT GENT (BE) 2016-01-14 US disclosed
US-20160009730-A1 HDAC6 INHIBITORS AND USES THEREOF UNIVERSITEIT GENT (BE) 2016-01-14 US disclosed
WO-2014147178-A1 HDAC6 INHIBITORS AND USES THEREOF UNIVERSITEIT GENT (BE) 2014-09-25 WO disclosed
WO-2014147178-A1 HDAC6 INHIBITORS AND USES THEREOF UNIVERSITEIT GENT (BE) 2014-09-25 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 (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-20160009730-A1 HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC7 HDAC6 1/4885HDAC10 11/4885HDAC1 2/4885

“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.