SCHEMBL1376624

SCHEMBL1376624

N#Cc1ccc(C(=O)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK3 Q15120 1/20 0.59
PDK4 Q16654 1/20 0.59
SLC6A7 Q99884 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KCNA5 P22460 1/20 0.56
GPR183 P32249 1/20 0.56
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRM5 P41594 2/20 0.53
EPHX2 P34913 1/20 0.52
NAMPT P43490 2/20 0.49
HPGD P15428 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
CYP3A4 P08684 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL2677750 0.95 PDK1 (0.56) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL31387924 0.86 HPGD (0.68) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL31387922 0.86 HPGD (0.68) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL13504026 0.85 GRM5 (0.68) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL3633068 0.84 HPGD (0.71) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL1375337 0.83 SIGMAR1 (0.64) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL2002543 0.83 ALDH1A1 (0.56) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL21485438 0.82 ALDH1A1 (0.64) PDK1PDK2PDK3PDK4SLC6A7
SCHEMBL21524887 0.81 PHGDH (0.63) PDK1PDK2PDK3PDK4SLC6A7
Hydrochloric Acid SCHEMBL7718789 0.81 SIGMAR1 (0.62) PDK1PDK2PDK3PDK4SLC6A7

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 PDK1 379/4885PDK2 563/4885PDK3 1220/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 PDK1 650/4885PDK2 604/4885PDK3 1620/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 PDK1 650/4885PDK2 604/4885PDK3 1620/4885

“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.