SCHEMBL1374094

SCHEMBL1374094

O=C(CCc1c[nH]c2ccccc12)N1CCNCC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.79
GLA P06280 1/20 0.75
ALDH1A1 P00352 7/20 0.67
LMNA P02545 5/20 0.67
GAA P10253 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 2/20 0.67
KDM4E B2RXH2 2/20 0.67
PKM P14618 2/20 0.60
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
RECQL P46063 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
SCHEMBL38662807 0.92 ALDH1A1 (0.80) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL2263678 0.89 KMT2A (0.97) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL11550121 0.88 KMT2A (1.00) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL11825700 0.84 KMT2A (0.85) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL11824360 0.82 LMNA (0.71) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL5173574 0.82 ALDH1A1 (0.97) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL1375109 0.80 GLA (0.68) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL14882056 0.79 ALDH1A1 (0.78) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL15245693 0.79 KMT2A (0.70) KMT2AGLAALDH1A1LMNAGAA
SCHEMBL24893050 0.78 KMT2A (0.68) KMT2AGLAALDH1A1LMNAGAA

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 9 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
US-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 US 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 80/4885GLA 803/4885ALDH1A1 1217/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 KMT2A 67/4885GLA 1130/4885ALDH1A1 1221/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 KMT2A 67/4885GLA 1130/4885ALDH1A1 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.