SCHEMBL5567183

SCHEMBL5567183

O=C(O)/C=C/c1cccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.81
HDAC8 Q9BY41 17/20 0.81
HDAC6 Q9UBN7 17/20 0.81
MDM2 Q00987 1/20 0.52
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL5567187 1.00 HDAC1 (0.81) HDAC1HDAC8HDAC6MDM2ESR1
SCHEMBL8249482 0.91 HDAC1 (0.80) HDAC1HDAC8HDAC6PTGS2
SCHEMBL5565998 0.90 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5566001 0.90 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL8243323 0.88 HDAC1 (0.85) HDAC1HDAC8HDAC6
SCHEMBL5566196 0.88 HDAC1 (0.70) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5566198 0.88 HDAC1 (0.70) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5560906 0.87 HDAC1 (0.82) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5560908 0.87 HDAC1 (0.82) HDAC1HDAC8HDAC6ESR1ESR2
SCHEMBL5565517 0.84 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US claimed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US claimed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 US disclosed
WO-2004082638-A2 HISTONE DEACETYLASE INHIBITORS SYRRX, INC. (US) 2004-09-30 WO 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-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC8 10/4885HDAC6 11/4885

“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.