SCHEMBL2328862

SCHEMBL2328862

CN1CCN(c2ccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 1.00
HDAC4 P56524 16/20 1.00
HDAC1 Q13547 16/20 1.00
HDAC7 Q8WUI4 16/20 1.00
HDAC2 Q92769 16/20 1.00
HDAC10 Q969S8 16/20 1.00
HDAC11 Q96DB2 16/20 1.00
HDAC8 Q9BY41 16/20 1.00
HDAC6 Q9UBN7 16/20 1.00
HDAC9 Q9UKV0 16/20 1.00
HDAC5 Q9UQL6 16/20 1.00
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAOB P27338 1/20 0.56
KDR P35968 1/20 0.56

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
SCHEMBL2328870 1.00 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2326979 0.99 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL2326973 0.99 HDAC3 (0.98) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1320001 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1319998 0.92 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2327862 0.91 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2327852 0.91 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2332993 0.89 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2332995 0.89 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2323382 0.89 HDAC3 (0.80) 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 19 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
US-20120115867-A1 NEW CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2012-05-10 US disclosed
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
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
US-20100305123-A1 CLASS OF HISTONE DEACETYLASE INHIBITORS DAC S.R.L. (IT) 2010-12-02 US 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
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
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.