SCHEMBL1065745

SCHEMBL1065745

CC(C)(C)[Si](C)(C)OCc1ccccc1-c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PDCD1 Q15116 3/20 0.33
CD274 Q9NZQ7 3/20 0.33
CYP19A1 P11511 2/20 0.33

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
SCHEMBL1065744 0.81 MAPT (0.42) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL1067661 0.81 MAPT (0.38) MAPTALDH1A1LMNATDP1TSHR
SCHEMBL7230335 0.78 ALOX5AP (0.40) BACE1
SCHEMBL2103775 0.72 HTT (0.44) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL2537549 0.71 TDP1 (0.37) MAPTALDH1A1LMNAHTTBACE1
SCHEMBL3940682 0.70 BACE1 (0.44) ALDH1A1BACE1
SCHEMBL1289678 0.70 MEN1 (0.42) MAPTALDH1A1HTTBACE1TDP1
SCHEMBL5471856 0.70 BACE1 (0.44) MAPTALDH1A1LMNAHTTBACE1
SCHEMBL31091811 0.70 PPARG (0.38) MAPTALDH1A1LMNA
SCHEMBL4580530 0.70 MAPT (0.36) MAPTALDH1A1LMNATDP1TSHR

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 6 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-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-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 (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 MAPT 2110/4885ALDH1A1 796/4885LMNA 1922/4885

“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.