SCHEMBL1067243

SCHEMBL1067243

Nc1cc(C(=O)O)ccc1NCCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.69
KDM4E B2RXH2 7/20 0.69
MAPT P10636 6/20 0.69
ALDH1A1 P00352 5/20 0.69
THRB P10828 3/20 0.69
HPGD P15428 3/20 0.69
GFER P55789 3/20 0.69
HTT P42858 1/20 0.69
PLEC Q15149 1/20 0.69
PTGER4 P35408 2/20 0.68
HSD17B10 Q99714 4/20 0.55
PRSS1 P07477 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
RCE1 Q9Y256 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2687869 0.85 GAA (0.77) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL1306650 0.83 GAA (0.67) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL9525197 0.83 KDM4E (0.72) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL15774833 0.81 PTGER4 (1.00) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL29210718 0.81 GAA (0.71) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL1731245 0.81 GAA (1.00) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL30983771 0.81 GAA (0.71) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL6575183 0.80 PTGER4 (0.47) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL16846282 0.79 PTGER4 (0.76) GAAKDM4EMAPTALDH1A1THRB
SCHEMBL7993941 0.78 GAA (0.65) GAAKDM4EMAPTALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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 (2 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 GAA 210/4885KDM4E 123/4885MAPT 2110/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 GAA 210/4885KDM4E 123/4885MAPT 2110/4885

“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.