SCHEMBL6038220

SCHEMBL6038220

COC(=O)CCSCC(=O)NCCCc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HDAC1 Q13547 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.44
HDAC4 P56524 2/20 0.44
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
GRK2 P25098 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL8261335 0.93 LMNA (0.48) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6038015 0.83 MAPT (0.49) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6037904 0.82 LMNA (0.48) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6038095 0.81 LMNA (0.64) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6038074 0.77 PKM (0.44) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6037941 0.77 ALDH1A1 (0.49) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL5278266 0.77 LMNA (0.48) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL5280811 0.74 ALDH1A1 (0.48) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6038373 0.73 NAMPT (0.64) LMNASMN1; SMN2HTTALOX15MAPK1
SCHEMBL6038182 0.71 LMNA (0.68) LMNASMN1; SMN2HTTALOX15MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 851/4885SMN1; SMN2 3733/4885HTT 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.