SCHEMBL4881186

SCHEMBL4881186

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.76
HDAC4 P56524 9/20 0.76
HDAC1 Q13547 9/20 0.76
HDAC7 Q8WUI4 9/20 0.76
HDAC2 Q92769 9/20 0.76
HDAC10 Q969S8 9/20 0.76
HDAC11 Q96DB2 9/20 0.76
HDAC8 Q9BY41 9/20 0.76
HDAC6 Q9UBN7 9/20 0.76
HDAC9 Q9UKV0 9/20 0.76
HDAC5 Q9UQL6 9/20 0.76
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 3/20 0.68
ALOX15 P16050 1/20 0.68
ALDH1A1 P00352 4/20 0.60
CYP1A2 P05177 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.55

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
SCHEMBL4885283 0.85 ALDH1A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4885049 0.85 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4886579 0.85 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6799157 0.82 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL4814884 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12201220 0.80 L3MBTL1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5320248 0.80 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4086523 0.79 RAB9A (0.86) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL5333909 0.79 RAB9A (0.86) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL11462217 0.78 RAB9A (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 11/4885HDAC4 8/4885HDAC1 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.