SCHEMBL4537378

SCHEMBL4537378

COc1ccc(OC)c(SC(C(=O)NO)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ADAM17 P78536 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PCTP Q9UKL6 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
SCHEMBL4526704 0.85 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4534294 0.80 ADAM17 (0.66) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4532011 0.80 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4538140 0.80 LMNA (0.57) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL2844427 0.74 PPARA (0.62) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4536717 0.73 LMNA (0.50) MAPTLMNAALDH1A1NPSR1KMT2A
SCHEMBL4541448 0.71 ALDH1A1 (0.49) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL11550002 0.71 ALDH1A1 (0.45) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL4536066 0.70 LMNA (0.48) MAPTLMNAALDH1A1NPSR1KMT2A
SCHEMBL11828506 0.70 HSD17B10 (0.51) MAPTALDH1A1NPSR1HTT

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.