SCHEMBL6515459

SCHEMBL6515459

O=C(C=Cc1ccc2c(c1)nc(-c1ccccc1)n2CCN1CCOCC1)NO

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.79
HDAC8 Q9BY41 19/20 0.79
HDAC6 Q9UBN7 12/20 0.79
HDAC3 O15379 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63

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
SCHEMBL6515455 1.00 HDAC1 (0.79) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL5565382 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5565384 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL3368681 0.85 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL3368679 0.85 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL6511758 0.84 HDAC1 (0.80) HDAC1HDAC8HDAC6
SCHEMBL6509075 0.84 HDAC1 (0.80) HDAC1HDAC8HDAC6
SCHEMBL6519295 0.82 PTGER4 (0.61) HDAC1HDAC8HDAC6HDAC2
SCHEMBL8291356 0.81 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL6508929 0.80 HDAC1 (1.00) HDAC1HDAC8HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885HDAC8 7/4885HDAC6 10/4885

“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.