SCHEMBL978417

SCHEMBL978417

CS(=O)(=O)N(c1ccccc1)c1ccc2sc(C(=O)NO)c(-c3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
PTGS2 P35354 2/20 0.33
CTSD P07339 3/20 0.33
BACE1 P56817 3/20 0.33
BACE2 Q9Y5Z0 3/20 0.33
SLC9A1 P19634 1/20 0.33
ALOX5 P09917 1/20 0.33
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
MAPT P10636 1/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32

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
SCHEMBL12922067 0.74 HDAC1 (0.62) HDAC1HDAC8HDAC6PTGS2CDC7
SCHEMBL974545 0.73 HDAC1 (0.57) HDAC1HDAC8HDAC6HDAC7HDAC3
SCHEMBL978418 0.71 HDAC1 (0.59) HDAC1
SCHEMBL1082274 0.69 BRD4 (0.50) HDAC1MAPTLMNAMAPK1
SCHEMBL975438 0.66 MGLL (0.53) HDAC1MAPT
SCHEMBL11624275 0.65 LMNA (0.52) MAPTLMNAMAPK1
SCHEMBL1704542 0.64 PKM (0.50)
SCHEMBL11625359 0.64 RXFP1 (0.47) PTGS2MAPTLMNAMAPK1
SCHEMBL14812283 0.63 HDAC6 (0.57) HDAC1HDAC8HDAC6HDAC7HDAC3
SCHEMBL894882 0.62 TSHR (0.46) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC8 8/4885HDAC6 10/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC8 8/4885HDAC6 10/4885

“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.