SCHEMBL1608342

SCHEMBL1608342

O=C(NO)c1cnc2ccn(Cc3cccnc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.52
HDAC6 Q9UBN7 9/20 0.52
HDAC2 Q92769 6/20 0.52
HDAC3 O15379 3/20 0.52
GRIN2B Q13224 1/20 0.52
HDAC8 Q9BY41 5/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
CXCR4 P61073 1/20 0.46
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.43
HSD17B13 Q7Z5P4 1/20 0.43
CNOT7 Q9UIV1 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
SCHEMBL1608137 0.88 HDAC6 (0.54) HDAC1HDAC6HDAC2HDAC3GRIN2B
SCHEMBL1608479 0.87 GRIN2B (0.49) HDAC1HDAC6HDAC2HDAC3GRIN2B
SCHEMBL1608374 0.84 HDAC6 (0.59) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608408 0.83 HDAC1 (0.55) HDAC1HDAC6HDAC2HDAC3GRIN2B
SCHEMBL1608411 0.83 ALDH1A1 (0.47) HDAC1HDAC6HDAC2HDAC3GRIN2B
SCHEMBL1608521 0.83 MAOB (0.48) HDAC1HDAC6HDAC2HDAC3GRIN2B
SCHEMBL1607764 0.83 HDAC6 (0.60) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608569 0.82 HDAC6 (0.57) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL1608416 0.81 HDAC6 (0.57) HDAC1HDAC6HDAC2HDAC3GRIN2B
SCHEMBL1608737 0.81 HDAC6 (0.57) HDAC1HDAC6HDAC2HDAC3GRIN2B

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 HDAC1 2/4885HDAC6 11/4885HDAC2 7/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC1 2/4885HDAC6 11/4885HDAC2 4/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC1 2/4885HDAC6 11/4885HDAC2 7/4885

“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.