SCHEMBL4249835

SCHEMBL4249835

COc1ccc2sc(C(=O)NCCOc3ccc(C(=S)NO)cc3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 15/20 0.58
HDAC1 Q13547 1/20 0.54
PPARA Q07869 2/20 0.48
NPC1 O15118 1/20 0.47
CLK2 P49760 3/20 0.46
DYRK1A Q13627 3/20 0.46
CLK4 Q9HAZ1 2/20 0.46
DYRK1B Q9Y463 1/20 0.45

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
SCHEMBL4249825 0.92 HDAC1 (0.48) CLK1HDAC1NPC1
SCHEMBL445756 0.91 CLK1 (0.61) CLK1HDAC1PPARANPC1CLK2
SCHEMBL4255195 0.90 NPC1 (0.51) CLK1HDAC1NPC1
SCHEMBL4257504 0.89 HDAC1 (0.47) CLK1HDAC1NPC1
SCHEMBL4253298 0.88 HDAC1 (0.45) CLK1HDAC1NPC1CLK2DYRK1A
SCHEMBL4252178 0.87 NPC1 (0.47) CLK1HDAC1NPC1
SCHEMBL4252262 0.87 HDAC1 (0.52) CLK1HDAC1NPC1
SCHEMBL4251113 0.84 RAB9A (0.57) CLK1HDAC1
SCHEMBL443592 0.82 HDAC1 (0.54) CLK1HDAC1NPC1
SCHEMBL445237 0.81 NPC1 (0.57) CLK1HDAC1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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 (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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 CLK1 3179/4885HDAC1 1/4885PPARA 742/4885

“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.