SCHEMBL4885283

SCHEMBL4885283

COc1ccc(CC(=O)Nc2ccc(C(=O)CSC(C)=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HDAC3 O15379 6/20 0.68
HDAC4 P56524 6/20 0.68
HDAC1 Q13547 6/20 0.68
HDAC7 Q8WUI4 6/20 0.68
HDAC2 Q92769 6/20 0.68
HDAC10 Q969S8 6/20 0.68
HDAC11 Q96DB2 6/20 0.68
HDAC8 Q9BY41 6/20 0.68
HDAC6 Q9UBN7 6/20 0.68
HDAC9 Q9UKV0 6/20 0.68
HDAC5 Q9UQL6 6/20 0.68
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
RAB9A P51151 1/20 0.60
MAPK1 P28482 1/20 0.57
CA12 O43570 1/20 0.56

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
SCHEMBL4881186 0.85 HDAC3 (0.76) ALDH1A1MAPTMEN1KMT2AHDAC3
SCHEMBL30034264 0.83 SMN1; SMN2 (0.88) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL12201220 0.81 L3MBTL1 (0.61) ALDH1A1MAPTMEN1KMT2AHDAC3
SCHEMBL5320248 0.81 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9995867 0.80 ALDH1A1 (0.79) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4883456 0.79 HDAC3 (0.80) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13984251 0.79 SMN1; SMN2 (0.76) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5659226 0.79 SMN1; SMN2 (0.76) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5183704 0.78 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2AHDAC1
SCHEMBL2453779 0.77 SMN1; SMN2 (0.78) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 ALDH1A1 1024/4885MAPT 478/4885MEN1 2700/4885

“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.