SCHEMBL4532011

SCHEMBL4532011

COc1cccc(SC(C(=O)NO)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.53
ADAM17 P78536 2/20 0.53
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4534294 0.85 ADAM17 (0.66) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4534233 0.82 LMNA (0.57) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4538140 0.82 LMNA (0.57) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL2846675 0.81 LMNA (0.72) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4533381 0.81 LMNA (0.55) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4540229 0.80 LMNA (0.54) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4535734 0.80 EPHX1 (0.70) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4537378 0.80 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL2839882 0.79 ADAM17 (0.55) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL10702424 0.78 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 MAPT 1533/4885LMNA 424/4885ALDH1A1 532/4885

“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.