SCHEMBL5281117

SCHEMBL5281117

CC(C)(C)OC(=O)NCCCCCNC(=O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MGLL Q99685 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 1/20 0.43
CRHBP P24387 1/20 0.43
CASP3 P42574 1/20 0.43
CRHR2 Q13324 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL24669238 0.85 MAPT (0.53) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL6037988 0.81 MMP1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL6038002 0.81 ALDH1A1 (0.55) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL25719141 0.80 MAPT (0.65) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL25719186 0.80 MAPT (0.65) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL1389312 0.80 MGLL (0.75) MGLLTDP1BRD4CA12CA1
SCHEMBL3911624 0.80 HDAC1 (0.60) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL18359784 0.80 MGLL (0.75) MGLLTDP1BRD4CA12CA1
SCHEMBL3082583 0.80 MEN1 (0.60) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL30958220 0.79 MAPT (0.45) ALDH1A1MGLLMEN1KMT2ASMN1; SMN2

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885MGLL 3271/4885MEN1 2348/4885

“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.