SCHEMBL1065624

SCHEMBL1065624

COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)ccc3[N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.56
HDAC2 Q92769 7/20 0.56
ABCB1 P08183 4/20 0.47
ABCC1 P33527 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 6/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1067396 0.87 HDAC1 (0.74) HDAC1HDAC2
SCHEMBL8291344 0.85 HDAC1 (0.55) HDAC1HDAC2ABCB1ABCC1MEN1
SCHEMBL1067128 0.83 HDAC1 (0.77) HDAC1HDAC2ABCB1ABCC1MEN1
SCHEMBL8292257 0.82 HDAC1 (0.54) HDAC1HDAC2ABCB1MEN1KMT2A
SCHEMBL8292282 0.81 HDAC1 (0.62) HDAC1HDAC2ABCB1MEN1KMT2A
SCHEMBL1066863 0.80 HDAC1 (0.61) HDAC1HDAC2ABCB1ABCC1MEN1
SCHEMBL12963062 0.79 HDAC1 (0.59) HDAC1HDAC2ABCB1MEN1KMT2A
SCHEMBL1066464 0.78 HDAC1 (0.58) HDAC1HDAC2ABCB1MEN1KMT2A
SCHEMBL1067034 0.77 HDAC1 (0.51) HDAC1HDAC2ABCB1MEN1KMT2A
SCHEMBL1061676 0.77 HDAC1 (0.56) HDAC1HDAC2ABCB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HDAC1 1/4885HDAC2 5/4885ABCB1 4043/4885

“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.