SCHEMBL2128338

SCHEMBL2128338

COc1ccc(-c2cn(CS(=O)(=O)NCc3ccc(C(=O)NO)cc3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.57
HDAC1 Q13547 11/20 0.52
HDAC6 Q9UBN7 5/20 0.52
KDM1A O60341 5/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC5 Q9UQL6 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
PTGS2 P35354 2/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL1164953 0.90 HDAC1 (0.53) SNCAHDAC1HDAC6KDM1AHDAC2
SCHEMBL1165318 0.88 HDAC1 (0.53) SNCAHDAC1HDAC6HDAC2HDAC8
SCHEMBL1164921 0.88 HDAC6 (0.54) HDAC1HDAC6HDAC2HDAC8HDAC5
SCHEMBL1165105 0.87 HDAC1 (0.50) SNCAHDAC1HDAC6HDAC2HDAC8
SCHEMBL1165075 0.83 SNCA (0.80) SNCAHDAC1HDAC6KDM1AHDAC2
SCHEMBL2127878 0.82 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC8HDAC5
SCHEMBL1164064 0.80 SRC (0.53) SNCAHDAC1HDAC6HDAC2HDAC8
SCHEMBL3439453 0.78 KMT2A (0.54) HDAC1HDAC6HDAC2HDAC8HDAC5
SCHEMBL3031939 0.71 NPC1 (0.80) HDAC1HDAC6KDM1AHDAC2HDAC8
SCHEMBL24755230 0.71 HDAC6 (0.75) SNCAHDAC1HDAC6KDM1AHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
US-20120101099-A1 HISTONE DEACETYLASE INHIBITORS ANTHEM BIOSCIENCES PRIVATE LIMITED (IN) 2012-04-26 US disclosed
WO-2011021209-A1 HISTONE DEACETYLASE INHIBITORS PORTSMOUTH TECHNOLOGIES LLC (US) 2011-02-24 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-20120101099-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC11 SNCA 4841/4885HDAC1 1/4885HDAC6 8/4885

“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.