SCHEMBL1373953

SCHEMBL1373953

O=C(O)C=Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
PTPN11 Q06124 1/20 0.54
PAX8 Q06710 1/20 0.54
POLB P06746 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 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
SCHEMBL1373949 1.00 HTT (0.60) HTTLMNAALDH1A1HPGDTP53
SCHEMBL1376541 0.91 ALDH1A1 (0.57) HTTLMNAALDH1A1HPGDTP53
SCHEMBL1376540 0.91 ALDH1A1 (0.57) HTTLMNAALDH1A1HPGDTP53
SCHEMBL1377480 0.90 HDAC1 (0.64) HTTLMNAALDH1A1HPGDTP53
SCHEMBL1377477 0.90 HDAC1 (0.64) HTTLMNAALDH1A1HPGDTP53
SCHEMBL1377805 0.82 HDAC1 (0.76) HTTLMNAALDH1A1HPGDTP53
SCHEMBL1377801 0.82 HDAC1 (0.76) HTTLMNAALDH1A1HPGDTP53
SCHEMBL12813309 0.80 HTT (0.67) HTTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3214214 0.80 ALDH1A1 (0.71) HTTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL30005036 0.80 HTT (0.67) HTTLMNAALDH1A1HPGDSMN1; SMN2

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 HTT 2082/4885LMNA 655/4885ALDH1A1 1217/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HTT 1266/4885LMNA 2569/4885ALDH1A1 1221/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HTT 1266/4885LMNA 2569/4885ALDH1A1 1221/4885

“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.