SCHEMBL1377873

SCHEMBL1377873

CN(C)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
HDAC4 P56524 1/20 0.53
CNR2 P34972 2/20 0.52
ABL1 P00519 2/20 0.52
RIN1 Q13671 1/20 0.52
EPHX2 P34913 1/20 0.51
GPR183 P32249 1/20 0.50
POLB P06746 1/20 0.48
TGM2 P21980 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCR P11274 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL8252454 0.85 KMT2A (0.72) KMT2AMEN1HDAC4ABL1RIN1
SCHEMBL5537347 0.84 KMT2A (0.70) KMT2AMEN1HDAC4CNR2ABL1
SCHEMBL3900270 0.84 KMT2A (0.70) KMT2AMEN1HDAC4CNR2ABL1
SCHEMBL29188760 0.84 KMT2A (0.70) KMT2AMEN1HDAC4ABL1RIN1
SCHEMBL5539977 0.83 MAPT (0.64) KMT2AMEN1POLBALDH1A1HTT
SCHEMBL1256025 0.82 KMT2A (0.92) KMT2AMEN1HDAC4ABL1RIN1
SCHEMBL110336 0.82 KMT2A (0.68) KMT2AMEN1HDAC4CNR2ABL1
SCHEMBL2365799 0.82 KMT2A (0.68) KMT2AMEN1HDAC4CNR2ABL1
SCHEMBL3093877 0.82 MEN1 (0.68) KMT2AMEN1HDAC4ABL1RIN1
SCHEMBL13872055 0.82 KMT2A (0.68) KMT2AMEN1HDAC4CNR2ABL1

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 KMT2A 80/4885MEN1 3571/4885HDAC4 9/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 KMT2A 67/4885MEN1 4281/4885HDAC4 4/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 KMT2A 67/4885MEN1 4281/4885HDAC4 4/4885

“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.