SCHEMBL1375101

SCHEMBL1375101

CCOC(=O)CCCCCCC(=O)N1CCN(C(=O)COc2cccc3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
HSD17B10 Q99714 2/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PRNP P04156 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
TSHR P16473 2/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 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
SCHEMBL13607018 0.84 ALDH1A1 (0.60) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL1377331 0.83 ALDH1A1 (0.61) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL27979632 0.82 ALDH1A1 (0.82) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL14218031 0.79 ALDH1A1 (0.70) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL11932386 0.78 ALDH1A1 (0.68) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL11490448 0.77 TSHR (0.67) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL31520212 0.77 TSHR (0.67) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL9439384 0.75 KDM4E (0.56) KDM4EALDH1A1TSHR
SCHEMBL17940608 0.75 ALDH1A1 (0.73) KDM4EALDH1A1MAPTHSD17B10HTT
SCHEMBL1374136 0.75 BLM (0.59) KDM4EALDH1A1MAPTHSD17B10LMNA

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 KDM4E 37/4885ALDH1A1 1217/4885MAPT 2594/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 KDM4E 127/4885ALDH1A1 1221/4885MAPT 1214/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 KDM4E 127/4885ALDH1A1 1221/4885MAPT 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.