SCHEMBL1068908

SCHEMBL1068908

C[Si](C)(C)C#Cc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 8/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 2/20 0.38
HTT P42858 1/20 0.35

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
SCHEMBL2398877 0.88 TSHR (0.51) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL6511117 0.85 CYP1A2 (0.39) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL18789074 0.82 TDP1 (0.59) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL6510043 0.81 VCAM1 (0.39) TDP1TSHRMAPTALDH1A1CYP1A2
SCHEMBL1507617 0.79 ALDH1A1 (0.49) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL2685005 0.78 VCAM1 (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL15687843 0.78 ALDH1A1 (0.49) TDP1MAPTALDH1A1LMNACYP1A2
SCHEMBL8293278 0.78 TDP1 (0.50) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL1065521 0.78 TDP1 (0.53) TDP1TSHRMAPTALDH1A1LMNA
SCHEMBL21753062 0.77 PDK1 (0.43) TDP1TSHRMAPTALDH1A1CYP1A2

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-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 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.