SCHEMBL2323819

SCHEMBL2323819

C[C@@H]1CN(c2cccc(C(=O)C=Cc3cccc(C=CC(=O)NO)c3)c2)C[C@H](C)N1C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 17/20 0.72
HDAC6 Q9UBN7 17/20 0.72
HDAC3 O15379 17/20 0.72
HDAC1 Q13547 17/20 0.72
HDAC11 Q96DB2 16/20 0.72
HDAC4 P56524 16/20 0.72
HDAC2 Q92769 16/20 0.72
HDAC7 Q8WUI4 15/20 0.72
HDAC10 Q969S8 15/20 0.72
HDAC9 Q9UKV0 15/20 0.72
HDAC5 Q9UQL6 15/20 0.72
MEF2D Q14814 1/20 0.44

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
SCHEMBL2323809 1.00 HDAC8 (0.72) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2325921 0.92 HDAC3 (0.71) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2326145 0.92 HDAC3 (0.71) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2323868 0.90 HDAC3 (0.67) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2323880 0.90 HDAC3 (0.67) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2329768 0.88 HDAC11 (0.73) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2329794 0.88 HDAC11 (0.73) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL1481750 0.88 HDAC11 (0.75) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL1481758 0.88 HDAC11 (0.75) HDAC8HDAC6HDAC3HDAC1HDAC11
SCHEMBL2326395 0.88 HDAC4 (0.69) HDAC8HDAC6HDAC3HDAC1HDAC11

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 8 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-2033956-A1 A new class of histone deacetylase inhibitors DAC S.r.l. (IT) 2009-03-11 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-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC5, HDAC1 HDAC8 14/4885HDAC6 15/4885HDAC3 1/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC8 12/4885HDAC6 20/4885HDAC3 1/4885

“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.