SCHEMBL2362329

SCHEMBL2362329

Nc1ccc(N2CCCN(C(=O)O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.63
CASP6 P55212 1/20 0.63
ALDH1A1 P00352 11/20 0.55
MAPT P10636 10/20 0.55
GAA P10253 5/20 0.55
HTT P42858 3/20 0.55
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
USP2 O75604 2/20 0.55
TP53 P04637 2/20 0.55
ALOX15 P16050 2/20 0.55
RAB9A P51151 2/20 0.55
HSD17B10 Q99714 2/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL854196 0.93 GFER (0.71) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL3548441 0.85 GFER (0.87) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL22805291 0.83 AKR1C3 (0.58) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL4985735 0.83 AKR1C3 (0.68) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL18155100 0.83 IP6K1 (0.55) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL112440 0.82 MAPT (0.78) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL2452376 0.81 GFER (0.56) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL3216413 0.81 TDP1 (0.66) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL15271347 0.81 ALDH1A1 (0.71) GFERCASP6ALDH1A1MAPTGAA
SCHEMBL28806386 0.80 GFER (0.73) GFERCASP6ALDH1A1MAPTGAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed
US-8343988-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V (BE) 2013-01-01 US disclosed
US-8268833-B2 Inhibitors of histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-18 US disclosed
EP-1485353-B1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2011-08-24 EP disclosed
US-7816363-B2 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC JANSSEN PHARMACEUTICA, N.V. (BE) 2010-10-19 US disclosed
WO-2010055304-A2 PHARMACEUTICAL COMPOUNDS SAREUM LIMITED (GB) 2010-05-20 WO disclosed
EP-2170849-A1 OXAZOLE TYROSINE KINASE INHIBITORS Sareum Limited (GB) 2010-04-07 EP disclosed
US-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 US disclosed
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE ANGIBAUD PATRICK RENE 2009-07-02 US disclosed
WO-2008139161-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2008-11-20 WO disclosed
US-20050107384-A1 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC ORTHO-MCNEIL PHARMACEUTICAL INC. 2005-05-19 US disclosed
EP-1485353-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076400-A1 NEW INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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-20050107384-A1 to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a HDAC in a biological sample comprising detecting or measuring the formation of a complex between a labelled compound as defined in claim (I) and a HDAC HDAC1, HDAC11, HDAC5 GFER 4356/4885CASP6 437/4885ALDH1A1 1048/4885
US-20090170836-A1 NEW INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 GFER 3634/4885CASP6 2329/4885ALDH1A1 1650/4885
US-20090170881-A1 NEW INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 GFER 3634/4885CASP6 2329/4885ALDH1A1 1650/4885

“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.