SCHEMBL5281087

SCHEMBL5281087

COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.61
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 2/20 0.61
THRB P10828 1/20 0.61
HTR6 P50406 4/20 0.60
ALOX15 P16050 3/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 2/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 2/20 0.53
KIT P10721 1/20 0.49

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
SCHEMBL5622505 0.87 CYP19A1 (0.64) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL213547 0.87 LMNA (0.77) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3409664 0.86 HTR6 (0.66) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL5281827 0.83 ALDH1A1 (0.60) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL6678901 0.83 LMNA (0.60) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL29373304 0.81 LMNA (0.54) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL18845 0.81 LMNA (0.54) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL22095977 0.81 ALDH1A1 (0.73) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL16470409 0.80 GPR27 (0.56) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL6089508 0.80 LMNA (0.53) LMNAALDH1A1MEN1KMT2AHTT

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 LMNA 851/4885ALDH1A1 781/4885MEN1 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.