SCHEMBL2323923

SCHEMBL2323923

O=C(/C=C/c1cccc(/C=C/C(=O)c2cccc(CN3CCN(Cc4ccccc4)CC3)c2)c1)NO

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.84
HDAC3 O15379 17/20 0.84
HDAC4 P56524 17/20 0.84
HDAC7 Q8WUI4 17/20 0.84
HDAC2 Q92769 17/20 0.84
HDAC10 Q969S8 17/20 0.84
HDAC11 Q96DB2 17/20 0.84
HDAC8 Q9BY41 17/20 0.84
HDAC6 Q9UBN7 17/20 0.84
HDAC9 Q9UKV0 17/20 0.84
HDAC5 Q9UQL6 17/20 0.84
KCNH2 Q12809 1/20 0.58
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL2323930 1.00 HDAC1 (0.84) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2326340 0.93 HDAC4 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2326364 0.93 HDAC4 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2323183 0.92 HDAC1 (0.84) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2323175 0.92 HDAC1 (0.84) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2322990 0.92 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2322985 0.92 HDAC3 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2322833 0.91 HDAC4 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2322835 0.91 HDAC4 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2330606 0.90 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2

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 10 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-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 EP 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 HDAC1 3/4885HDAC3 1/4885HDAC4 13/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC3 1/4885HDAC4 13/4885

“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.