SCHEMBL1064409

SCHEMBL1064409

O=C(O)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.67
GAA P10253 9/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
KDM4E B2RXH2 8/20 0.63
MAPT P10636 7/20 0.63
ALOX12 P18054 6/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 6/20 0.62
ALOX15 P16050 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPK1 P28482 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
HPGD P15428 1/20 0.56
GFER P55789 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 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
SCHEMBL31424928 0.87 HDAC6 (0.70) L3MBTL1GAARAB9ANPC1KDM4E
SCHEMBL30277579 0.86 RAB9A (0.69) L3MBTL1GAARAB9ANPC1KDM4E
SCHEMBL24197357 0.83 GAA (0.74) L3MBTL1GAARAB9ANPC1KDM4E
SCHEMBL14439034 0.83 L3MBTL1 (0.78) L3MBTL1GAARAB9ANPC1KDM4E
SCHEMBL30854988 0.83 L3MBTL1 (0.73) L3MBTL1GAARAB9ANPC1KDM4E
SCHEMBL60648 0.82 KMO (0.67) L3MBTL1RAB9ANPC1KDM4EMAPT
SCHEMBL213185 0.82 GAA (0.69) L3MBTL1GAARAB9ANPC1KDM4E
SCHEMBL5586495 0.81 L3MBTL1 (0.57) L3MBTL1GAARAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL6186324 0.81 KMO (0.65) L3MBTL1RAB9ANPC1KDM4EMAPT
SCHEMBL4418236 0.81 CA1 (0.59) L3MBTL1ALDH1A1HPGDKMT2AHSD17B10

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
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 WO disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885GAA 210/4885RAB9A 2909/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885GAA 210/4885RAB9A 2909/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885GAA 210/4885RAB9A 2909/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885GAA 210/4885RAB9A 2909/4885

“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.