SCHEMBL5281827

SCHEMBL5281827

COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
HTR6 P50406 3/20 0.60
ALOX15 P16050 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 9/20 0.58
HTT P42858 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.56
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PKM P14618 2/20 0.51
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL213547 0.87 LMNA (0.77) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL7171823 0.86 HTR6 (0.62) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL5281087 0.83 LMNA (0.61) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL6350570 0.82 LMNA (0.60) ALDH1A1MEN1KMT2AALOX15LMNA
SCHEMBL6676342 0.80 LMNA (0.54) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL6089371 0.79 CA1 (0.50) ALDH1A1MEN1KMT2AALOX15LMNA
SCHEMBL5280989 0.78 LMNA (0.55) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL7534716 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL7533912 0.78 HTR6 (0.51) ALDH1A1MEN1KMT2AHTR6ALOX15
SCHEMBL6088076 0.78 CA1 (0.49) ALDH1A1MEN1KMT2AHTR6ALOX15

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 781/4885MEN1 2348/4885KMT2A 30/4885

“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.