SCHEMBL4248036

SCHEMBL4248036

COc1ccc2oc(/C(C)=C/C(=O)C(=O)NCCOc3ccc(C(=S)NO)cc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TAS1R3 Q7RTX0 10/20 0.41
TAS1R1 Q7RTX1 10/20 0.41
CA4 P22748 1/20 0.40
BCAT1 P54687 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL444250 0.91 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL444248 0.91 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL444249 0.91 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4247798 0.85 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4252299 0.80 HPGD (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4248042 0.80 HPGD (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4254278 0.79 HPGD (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4255359 0.78 TAS1R3 (0.52) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL444772 0.77 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL445805 0.77 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC4HDAC7

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 HDAC3 3/4885HDAC1 1/4885HDAC2 4/4885

“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.