SCHEMBL1608708

SCHEMBL1608708

O=C(NO)c1cnc2ccn(CCCc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.48
HDAC1 Q13547 11/20 0.47
HDAC6 Q9UBN7 11/20 0.47
HDAC3 O15379 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
GRIN2B Q13224 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM1A O60341 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1608512 0.93 HDAC6 (0.49) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608137 0.86 HDAC6 (0.54) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1607500 0.83 HDAC1 (0.58) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608144 0.82 HDAC6 (0.47) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608442 0.80 HDAC8 (0.55) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608342 0.77 HDAC1 (0.52) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608914 0.77 HDAC6 (0.47) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608411 0.76 ALDH1A1 (0.47) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608521 0.76 MAOB (0.48) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL1608408 0.76 HDAC1 (0.55) HDAC8HDAC1HDAC6HDAC3HDAC2

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 HDAC8 1/4885HDAC1 2/4885HDAC6 11/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC8 1/4885HDAC1 2/4885HDAC6 11/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC8 1/4885HDAC1 2/4885HDAC6 11/4885

“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.