SCHEMBL1375341

SCHEMBL1375341

CCOC(=O)CCCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TSHR P16473 1/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR1A P08908 5/20 0.60
HTR7 P34969 4/20 0.60
ADAMTS5 Q9UNA0 2/20 0.55
MMP2 P08253 1/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL1374761 1.00 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4ETSHRMEN1
SCHEMBL1376519 0.88 MAPT (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AADAMTS5
SCHEMBL1374125 0.87 HDAC1 (0.65) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1374666 0.87 MAPT (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AHTR1A
SCHEMBL1706148 0.86 KCNH2 (0.68) HTR1AHTR7
SCHEMBL1376511 0.86 MAPT (0.68) ALDH1A1SMN1; SMN2TSHRADAMTS5MMP2
SCHEMBL10759929 0.84 KCNH2 (0.64) HTR1AHTR7MAPT
SCHEMBL1375794 0.81 KMT2A (0.53) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1376551 0.81 KMT2A (0.53) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL12431958 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KDM4ETSHRMEN1

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 ALDH1A1 1217/4885SMN1; SMN2 3999/4885KDM4E 37/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 ALDH1A1 1221/4885SMN1; SMN2 4663/4885KDM4E 127/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 ALDH1A1 1221/4885SMN1; SMN2 4663/4885KDM4E 127/4885

“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.