SCHEMBL1607635

SCHEMBL1607635

Cc1ccccc1Cn1ccc2ncc(C(=O)NO)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC6 Q9UBN7 7/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC3 O15379 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
GRIN2B Q13224 7/20 0.43
P2RY14 Q15391 1/20 0.42
FLT3 P36888 1/20 0.42
ASAH1 Q13510 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1608122 0.86 HDAC6 (0.46) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608910 0.86 HDAC1 (0.55) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608137 0.83 HDAC6 (0.54) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608184 0.83 CYP11B1 (0.59) CYP11B1CYP11B2HDAC1HDAC6HDAC2
SCHEMBL1608938 0.82 HDAC1 (0.45) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608416 0.81 HDAC6 (0.57) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608411 0.81 ALDH1A1 (0.47) CYP11B1CYP11B2HDAC1HDAC6HDAC2
SCHEMBL1608563 0.81 HDAC6 (0.51) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608824 0.80 HDAC8 (0.60) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608637 0.79 HDAC8 (0.46) HDAC1HDAC6HDAC2HDAC3HDAC8

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 CYP11B1 3523/4885CYP11B2 3625/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 CYP11B1 3968/4885CYP11B2 4053/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 CYP11B1 3523/4885CYP11B2 3625/4885HDAC1 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.