SCHEMBL8293247

SCHEMBL8293247

CC(C)(CCCCc1ccc([N+](=O)[O-])c(N)c1)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
AR P10275 1/20 0.33
TXNRD1 Q16881 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
RECQL P46063 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
WNK1 Q9H4A3 1/20 0.31

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
SCHEMBL8228999 0.76 MAPK1 (0.37) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL1067421 0.76 MAPT (0.39) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL13355355 0.75 LTB4R (0.42) MAPTHTR2AL3MBTL1
SCHEMBL16091697 0.73 MAOB (0.50) NPC1RAB9AHTR2ASMN1; SMN2
SCHEMBL8292247 0.73 MAPT (0.41) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL1068702 0.71 TDP1 (0.51) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL11490171 0.71 MAPT (0.54) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL23077767 0.71 MAPK1 (0.48) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL8291350 0.70 AR (0.39) MAPK1TSHRTDP1MAPTALDH1A1
SCHEMBL11494839 0.68 MAPT (0.56) MAPK1TSHRTDP1MAPTALDH1A1

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 3 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
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 MAPK1 1612/4885TSHR 3869/4885TDP1 926/4885

“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.