SCHEMBL2326243

SCHEMBL2326243

O=C(/C=C/c1cccc(/C=C/C(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1)NO

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.75
HDAC4 P56524 19/20 0.75
HDAC1 Q13547 19/20 0.75
HDAC7 Q8WUI4 19/20 0.75
HDAC2 Q92769 19/20 0.75
HDAC10 Q969S8 19/20 0.75
HDAC11 Q96DB2 19/20 0.75
HDAC8 Q9BY41 19/20 0.75
HDAC6 Q9UBN7 19/20 0.75
HDAC9 Q9UKV0 19/20 0.75
HDAC5 Q9UQL6 19/20 0.75
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL2324621 1.00 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2323137 0.97 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2323134 0.97 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2323068 0.94 HDAC1 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2323062 0.94 HDAC1 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2326859 0.91 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2328321 0.91 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2328316 0.91 HDAC1 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2326864 0.91 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1481395 0.89 HDAC1 (0.71) 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 11 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
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 HDAC3 1/4885HDAC4 13/4885HDAC1 3/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC3 1/4885HDAC4 13/4885HDAC1 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.