SCHEMBL1064412

SCHEMBL1064412

COC(=O)c1cc2cc(CNc3ccc(OC)c(OC)c3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 2/20 0.50
▸ DHFR P00374 3/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46

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
SCHEMBL3560484 0.91 LMNA (0.56) L3MBTL1RAB9AMEN1KMT2APOLB
SCHEMBL1065598 0.82 HDAC1 (0.71) L3MBTL1RAB9AMEN1KMT2AHDAC1
SCHEMBL21697974 0.81 L3MBTL1 (0.53) L3MBTL1RAB9AMEN1KMT2APOLB
SCHEMBL1067845 0.80 HDAC1 (0.45) CA2CA9KDM4EHDAC1
SCHEMBL5583473 0.79 LMNA (0.56) L3MBTL1DHFRHDAC1HDAC2MAOA
SCHEMBL211640 0.79 RAB9A (0.53) L3MBTL1RAB9AMEN1KMT2APOLB
SCHEMBL2733675 0.79 DHFR (0.50) MEN1KMT2ADHFRCA1CA2
SCHEMBL12963125 0.75 HDAC1 (0.69) RAB9ACA1CA2CA9ALDH1A1
SCHEMBL27890015 0.75 HDAC1 (0.65) POLBDHFRCA1CA2CA9
SCHEMBL3558423 0.74 TUBB4A (0.54) MEN1KMT2ADHFRALDH1A1MAPT

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
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
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
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-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — 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 1291/4885RAB9A 2909/4885MEN1 2635/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885RAB9A 2909/4885MEN1 2635/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885RAB9A 2909/4885MEN1 2635/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 L3MBTL1 1291/4885RAB9A 2909/4885MEN1 2635/4885

“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.

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