SCHEMBL4247166

SCHEMBL4247166

COCCOc1ccc2oc(C(=O)NCC#Cc3ccc(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 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
TAS1R3 Q7RTX0 9/20 0.40
TAS1R1 Q7RTX1 9/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCAT1 P54687 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4816497 0.92 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4254278 0.88 HPGD (0.53) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4247487 0.88 ADAM17 (0.44) HDAC1HDAC8HDAC6TSHRACACB
SCHEMBL4253905 0.86 ALDH1A1 (0.45) HDAC1SMN1; SMN2ALDH1A1GAAACACB
SCHEMBL4254753 0.84 ACACB (0.43) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4255512 0.83 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4255394 0.82 TAS1R3 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4256664 0.82 ACACB (0.41) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4250748 0.82 SMN1; SMN2 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4247798 0.81 HDAC3 (0.60) 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.