SCHEMBL1176271

SCHEMBL1176271

O=C(O)/C=C/c1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.83
HDAC4 P56524 19/20 0.83
HDAC1 Q13547 19/20 0.83
HDAC7 Q8WUI4 19/20 0.83
HDAC2 Q92769 19/20 0.83
HDAC10 Q969S8 19/20 0.83
HDAC11 Q96DB2 19/20 0.83
HDAC8 Q9BY41 19/20 0.83
HDAC6 Q9UBN7 19/20 0.83
HDAC9 Q9UKV0 19/20 0.83
HDAC5 Q9UQL6 19/20 0.83
KCNH2 Q12809 2/20 0.83
SIGMAR1 Q99720 1/20 0.65

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
SCHEMBL1176274 1.00 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546786 0.96 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15948957 0.96 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176448 0.94 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1176453 0.94 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546823 0.94 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1546826 0.94 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1546886 0.93 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL1546884 0.93 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2128414 0.92 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115148-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2015-08-25 US disclosed
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2014-03-20 US disclosed
US-8592444-B2 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.R.L. (IT) 2013-11-26 US disclosed
EP-2279187-B9 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-12-12 EP disclosed
EP-2279187-B1 Spirocyclic derivatives as histone deacetylase inhibitors DAC SRL (IT) 2012-04-25 EP disclosed
US-20110039840-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2011-02-17 US disclosed
EP-2110377-A1 Spirocyclic derivatives as histone deacetylase inhibitors DAC S.r.l. (IT) 2009-10-21 EP 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 (2 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-20110039840-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 HDAC3 4/4885HDAC4 10/4885HDAC1 5/4885
US-20140080823-A1 SPIROCYCLIC DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC7, HDAC8, HDAC9 HDAC3 4/4885HDAC4 10/4885HDAC1 5/4885

“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.