SCHEMBL5282314

SCHEMBL5282314

O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(I)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.74
ALDH1A1 P00352 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.69
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
MAPT P10636 4/20 0.64
HPGD P15428 3/20 0.61
HTT P42858 3/20 0.58
TSHR P16473 2/20 0.58
GAA P10253 2/20 0.58
PKM P14618 1/20 0.58
TAS2R14 Q9NYV8 1/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58

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
SCHEMBL6522456 0.83 ALDH1A1 (1.00) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3010847 0.81 LMNA (0.69) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3031824 0.81 LMNA (1.00) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL31681418 0.80 LMNA (0.70) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4732970 0.79 LMNA (0.79) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3021651 0.79 ALDH1A1 (0.66) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL15705429 0.79 LMNA (0.85) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10079157 0.78 GFER (0.78) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13988083 0.78 LMNA (0.68) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30150630 0.78 KMT2A (0.64) LMNAALDH1A1SMN1; SMN2KMT2AMEN1

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 781/4885SMN1; SMN2 3733/4885

“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.