SCHEMBL5281126

SCHEMBL5281126

COc1cc(NS(=O)(=O)c2ccc(I)cc2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 3/20 0.52
ALOX15 P16050 2/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
HTR6 P50406 3/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.48
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
WDR5 P61964 1/20 0.43
MAPT P10636 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
SCHEMBL12715632 0.81 HTT (0.46) SMN1; SMN2LMNAHTTALDH1A1KDM4E
SCHEMBL24853597 0.78 IRAK4 (0.48) SMN1; SMN2HTTKMT2AALDH1A1KDM4E
SCHEMBL30177475 0.78 IRAK4 (0.48) SMN1; SMN2HTTKMT2AALDH1A1KDM4E
SCHEMBL213547 0.77 LMNA (0.77) SMN1; SMN2LMNAHTTALOX15MAPK1
SCHEMBL6340650 0.77 LMNA (0.48) SMN1; SMN2LMNAHTTALOX15MAPK1
SCHEMBL20657630 0.75 PTPN5 (0.51) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL22113057 0.74 KMT2A (0.49) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL5281827 0.74 ALDH1A1 (0.60) SMN1; SMN2LMNAHTTALOX15MAPK1
SCHEMBL15457550 0.73 EPHX1 (0.57) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL28826237 0.73 POLB (0.48) SMN1; SMN2LMNAHTTKMT2AALDH1A1

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 4 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
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 SMN1; SMN2 3733/4885LMNA 851/4885HTT 846/4885

“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.