SCHEMBL1607541

SCHEMBL1607541

COc1cc(Cn2ccc3cnc(C(=O)NO)cc32)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.51
HDAC8 Q9BY41 14/20 0.51
HDAC1 Q13547 11/20 0.51
HDAC2 Q92769 11/20 0.51
HDAC3 O15379 9/20 0.51
HDAC10 Q969S8 7/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
HDAC4 P56524 2/20 0.51
NCOR2 Q9Y618 1/20 0.51
BRAF P15056 1/20 0.39
GRM4 Q14833 1/20 0.38

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
SCHEMBL1608885 0.88 HDAC6 (0.48) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608344 0.87 HDAC6 (0.46) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608524 0.86 HDAC6 (0.67) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1607654 0.86 HDAC6 (0.49) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL3431726 0.84 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608514 0.83 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1609261 0.82 HDAC8 (0.74) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608162 0.82 HDAC6 (0.55) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1608413 0.82 HDAC6 (0.47) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL1607636 0.81 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC2HDAC3

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-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC8 1/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC8 1/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC8 1/4885HDAC1 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.