SCHEMBL6507256

SCHEMBL6507256

O=C(C=Cc1ccc2[nH]c(-c3ccccc3)nc2c1)NO

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.73
HDAC8 Q9BY41 10/20 0.73
HDAC6 Q9UBN7 10/20 0.73
HDAC2 Q92769 9/20 0.56
HDAC3 O15379 8/20 0.55
HDAC4 P56524 7/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC9 Q9UKV0 6/20 0.55
HDAC5 Q9UQL6 6/20 0.55
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
APP P05067 1/20 0.47

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
SCHEMBL6513450 1.00 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL5046073 0.84 HDAC8 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL5046075 0.84 HDAC8 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL13836663 0.83 MMP2 (0.61) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL8767799 0.83 MMP2 (0.61) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL13836664 0.83 MMP2 (0.61) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL5566574 0.83 HDAC8 (0.76) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL5566575 0.83 HDAC8 (0.76) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL8769622 0.80 POLB (0.60) HDAC1HDAC8HDAC6MMP2MMP13
SCHEMBL13836049 0.80 POLB (0.60) HDAC1HDAC8HDAC6MMP2MMP13

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 4 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
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
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.