SCHEMBL2329586

SCHEMBL2329586

O=C(C=Cc1cccc(C=CC(=O)c2cccc(N3CCOCC3)c2)n1)NO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.77
HDAC3 O15379 11/20 0.77
HDAC1 Q13547 11/20 0.77
HDAC7 Q8WUI4 11/20 0.77
HDAC2 Q92769 11/20 0.77
HDAC10 Q969S8 11/20 0.77
HDAC11 Q96DB2 11/20 0.77
HDAC8 Q9BY41 11/20 0.77
HDAC6 Q9UBN7 11/20 0.77
HDAC9 Q9UKV0 11/20 0.77
HDAC5 Q9UQL6 11/20 0.77
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAOB P27338 2/20 0.52

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
SCHEMBL2329577 1.00 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2330547 0.91 HDAC3 (0.78) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2330539 0.91 HDAC3 (0.78) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2326267 0.87 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2326294 0.87 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2323428 0.87 HDAC3 (1.00) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2323404 0.87 HDAC3 (1.00) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2322338 0.87 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2322343 0.87 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL2325933 0.85 HDAC11 (0.81) HDAC4HDAC3HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US claimed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP claimed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US claimed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP claimed
EP-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 EP claimed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 WO claimed
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
EP-2197854-B1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC SRL (IT) 2011-08-10 EP disclosed
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US disclosed
EP-2197854-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.r.l. (IT) 2010-06-23 EP disclosed
EP-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 EP disclosed
WO-2009027395-A1 A NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2009-03-05 WO 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 HDAC4 13/4885HDAC3 1/4885HDAC1 3/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC4 13/4885HDAC3 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.