SCHEMBL8293261

SCHEMBL8293261

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
RAB9A P51151 6/20 0.62
NPC1 O15118 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
SGK1 O00141 1/20 0.44
GFER P55789 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
POLB P06746 1/20 0.43
GSTO1 P78417 1/20 0.43

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
SCHEMBL31396449 0.78 PIK3CA (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7472306 0.77 MAPT (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL22290250 0.74 MAPT (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21812694 0.74 ALDH1A1 (0.57) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL18387893 0.74 USP30 (0.75) MAPTRAB9A
SCHEMBL6916032 0.74 ALDH1A1 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL12134342 0.73 SYK (0.48) MAPTRAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL25246237 0.73 NR1D1 (0.40) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL1067495 0.72 MAPT (0.55) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL30580939 0.72 GSTO1 (0.40) RAB9ANPC1MEN1KMT2AGSTO1

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 MAPT 2110/4885RAB9A 2909/4885NPC1 1197/4885

“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.