SCHEMBL2329307

SCHEMBL2329307

O=C(C=Cc1cccc(C=CC(=O)c2ccccc2CN2CCOCC2)c1)NO

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.78
HDAC8 Q9BY41 15/20 0.78
HDAC6 Q9UBN7 15/20 0.78
HDAC4 P56524 11/20 0.78
HDAC3 O15379 10/20 0.78
HDAC7 Q8WUI4 10/20 0.78
HDAC2 Q92769 10/20 0.78
HDAC10 Q969S8 10/20 0.78
HDAC11 Q96DB2 10/20 0.78
HDAC9 Q9UKV0 10/20 0.78
HDAC5 Q9UQL6 10/20 0.78
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 1/20 0.53
MEF2D Q14814 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2326882 1.00 HDAC1 (0.78) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2323042 0.88 HDAC4 (0.79) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2323029 0.88 HDAC4 (0.79) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2325915 0.88 HDAC4 (0.78) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2325912 0.88 HDAC4 (0.78) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2326431 0.88 HDAC3 (1.00) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2324060 0.88 HDAC1 (0.81) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2326422 0.88 HDAC3 (1.00) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL30383718 0.88 HDAC3 (1.00) HDAC1HDAC8HDAC6HDAC4HDAC3
SCHEMBL2324054 0.88 HDAC1 (0.81) HDAC1HDAC8HDAC6HDAC4HDAC3

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 HDAC1 3/4885HDAC8 14/4885HDAC6 15/4885
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC5 HDAC1 2/4885HDAC8 12/4885HDAC6 20/4885

“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.