SCHEMBL4252045

SCHEMBL4252045

CCOC(=O)c1ccc2ccn(Cc3ccc(OC)cc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.70
HDAC6 Q9UBN7 8/20 0.70
HDAC1 Q13547 7/20 0.70
HDAC2 Q92769 7/20 0.70
HDAC3 O15379 6/20 0.70
HDAC10 Q969S8 6/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC4 P56524 1/20 0.70
HDAC7 Q8WUI4 1/20 0.70
HDAC5 Q9UQL6 1/20 0.70
NCOR2 Q9Y618 1/20 0.70
TP53 P04637 1/20 0.49
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
NLRP3 Q96P20 1/20 0.47
MAOB P27338 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL5464848 0.89 HDAC6 (0.78) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL19730383 0.87 HDAC6 (0.71) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL4250982 0.86 HDAC6 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL24071221 0.86 HDAC6 (0.73) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL25667175 0.85 HDAC8 (0.76) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL24071215 0.85 HDAC8 (0.76) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL30014115 0.82 HDAC6 (1.00) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1608763 0.82 HDAC6 (1.00) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL6190834 0.82 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL24071212 0.81 HDAC6 (0.81) HDAC8HDAC6HDAC1HDAC2HDAC3

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.