SCHEMBL4253098

SCHEMBL4253098

COc1ccc(Cn2ccc3ccc(C(=S)NO)cc32)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 14/20 0.53
HDAC6 Q9UBN7 13/20 0.53
HDAC1 Q13547 11/20 0.53
HDAC2 Q92769 8/20 0.53
HDAC10 Q969S8 6/20 0.53
HDAC3 O15379 6/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
DBH P09172 1/20 0.50
FGFR1 P11362 1/20 0.42
FGFR4 P22455 1/20 0.42
PPARG P37231 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL1609205 0.87 HDAC8 (0.71) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4251712 0.84 HDAC6 (0.54) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4254173 0.83 HDAC6 (0.75) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4253924 0.82 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4254164 0.81 HDAC6 (0.61) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4247700 0.81 HDAC8 (0.58) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4254015 0.79 HDAC8 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4251224 0.79 EPHX2 (0.46) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL1608403 0.79 HDAC8 (0.71) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL4251128 0.78 HDAC8 (0.53) HDAC8HDAC6HDAC1HDAC2HDAC10

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 HDAC8 2/4885HDAC6 11/4885HDAC1 1/4885

“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.