SCHEMBL8291332

SCHEMBL8291332

CC(C)(CCc1sccc1-c1ccc([N+](=O)[O-])c(N)c1)[Si](C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8291350 0.80 AR (0.39) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL1067814 0.78 TDP1 (0.44) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL1067661 0.78 MAPT (0.38) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL8291348 0.77 ALDH1A1 (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8228999 0.71 MAPK1 (0.37) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL19733666 0.66 CYP3A4 (0.44) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL29465715 0.65 KCNH2 (0.62) TDP1TSHRMAPTMEN1POLB
SCHEMBL1065088 0.65 KCNH2 (0.62) TDP1TSHRMAPTMEN1POLB
SCHEMBL3973537 0.65 MAPT (0.69) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL8293148 0.64 ERN1 (0.46) MAPTLMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 926/4885TSHR 3869/4885MAPT 2110/4885

“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.