SCHEMBL1377409

SCHEMBL1377409

O=C(O)CCCCCC(=O)NOCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.68
NCOR2 Q9Y618 1/20 0.68
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ALOX5 P09917 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL1374654 1.00 HDAC3 (0.68) HDAC3NCOR2MAPTRXFP1NPC1
SCHEMBL9191954 0.98 HDAC3 (0.66) HDAC3NCOR2MAPTRXFP1NPC1
SCHEMBL9069759 0.95 HDAC3 (0.62) HDAC3NCOR2MAPTRXFP1NPC1
SCHEMBL6763786 0.95 HDAC3 (0.74) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL9191952 0.93 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL449555 0.89 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL8163537 0.89 HDAC3 (0.67) HDAC3NCOR2HDAC1HDAC2HDAC8
SCHEMBL5794325 0.89 HDAC3 (0.67) HDAC3NCOR2MAPTRXFP1NPC1
SCHEMBL8081432 0.89 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL3057437 0.89 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1

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 HDAC3 5/4885NCOR2 88/4885MAPT 2594/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC3 7/4885NCOR2 79/4885MAPT 1214/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC3 7/4885NCOR2 79/4885MAPT 1214/4885

“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.