SCHEMBL5282225

SCHEMBL5282225

COc1cc(NS(=O)(=O)c2ccc(C=CCNC(=O)COCc3ccc(F)cc3)cc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.43
HDAC1 Q13547 5/20 0.42
HDAC4 P56524 3/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.40
HDAC3 O15379 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
TUBB4A P04350 1/20 0.39

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
SCHEMBL5282216 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPTHDAC1HDAC4ALDH1A1
SCHEMBL5281114 0.83 HDAC1 (0.52) SMN1; SMN2MAPTHDAC1HDAC4ALDH1A1
SCHEMBL5281123 0.83 HDAC1 (0.52) SMN1; SMN2MAPTHDAC1HDAC4ALDH1A1
SCHEMBL6038040 0.83 HDAC1 (0.53) SMN1; SMN2HDAC1HDAC4ALDH1A1MAPK1
SCHEMBL6038038 0.83 HDAC1 (0.53) SMN1; SMN2HDAC1HDAC4ALDH1A1MAPK1
SCHEMBL5277041 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1POLBMAPK1
SCHEMBL6037888 0.83 HDAC1 (0.54) SMN1; SMN2MAPTHDAC1HDAC4ALDH1A1
SCHEMBL6037884 0.83 HDAC1 (0.54) SMN1; SMN2MAPTHDAC1HDAC4ALDH1A1
SCHEMBL5282703 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1POLBMAPK1
SCHEMBL6038148 0.76 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1POLBMAPK1

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 6 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 claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
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 SMN1; SMN2 3733/4885MAPT 3848/4885HDAC1 1/4885

“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.