SCHEMBL1374685

SCHEMBL1374685

COc1cccc(N2CCN(S(=O)(=O)c3ccc(C=CC(=O)NO)cc3)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.74
HDAC3 O15379 9/20 0.74
HDAC4 P56524 9/20 0.74
HDAC7 Q8WUI4 9/20 0.74
HDAC2 Q92769 9/20 0.74
HDAC10 Q969S8 9/20 0.74
HDAC11 Q96DB2 9/20 0.74
HDAC8 Q9BY41 9/20 0.74
HDAC6 Q9UBN7 9/20 0.74
HDAC9 Q9UKV0 9/20 0.74
HDAC5 Q9UQL6 9/20 0.74
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.57
GPR183 P32249 2/20 0.56
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 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
SCHEMBL1374684 1.00 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1374015 0.92 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1374019 0.92 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377894 0.86 HDAC3 (0.84) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377893 0.86 HDAC3 (0.84) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12431875 0.85 HDAC1 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377883 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377885 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12152306 0.85 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1377477 0.83 HDAC1 (0.64) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US disclosed
EP-1492534-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-01-05 EP disclosed
WO-2003082288-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2003-10-09 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 (3 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-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 HDAC1 1/4885HDAC3 5/4885HDAC4 9/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885HDAC3 7/4885HDAC4 4/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885HDAC3 7/4885HDAC4 4/4885

“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.