SCHEMBL4254747

SCHEMBL4254747

O=C(NCCOc1ccc(C(=S)NO)cc1)c1oc2ccccc2c1COCCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
LMNA P02545 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL443546 0.92 HDAC6 (0.69) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4251763 0.90 HDAC3 (0.62) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4251047 0.90 HDAC3 (0.61) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4256697 0.88 HDAC3 (0.64) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4254186 0.87 HDAC3 (0.65) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4253895 0.87 HDAC3 (0.60) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4247714 0.86 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL13969917 0.86 HDAC3 (0.61) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4254163 0.86 HDAC3 (0.61) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL4253906 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC10HDAC8

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

“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.