SCHEMBL6509196

SCHEMBL6509196

O=C(NO)c1cc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.78
CES1 P23141 1/20 0.50
ESR1 P03372 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
CYP19A1 P11511 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
WDR5 P61964 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
SCHEMBL6508074 0.90 HDAC1 (0.63) HDAC1CES1ESR1HDAC8HDAC3
SCHEMBL1884950 0.88 HDAC1 (0.78) HDAC1ESR1HDAC8HDAC3HDAC4
SCHEMBL1884428 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1891106 0.86 HDAC1 (0.86) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1887587 0.84 HDAC1 (0.80) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6508114 0.81 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1888087 0.80 HDAC1 (0.56) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL15697492 0.79 MEN1 (0.64) HDAC1CES1ESR1HDAC8CYP19A1
SCHEMBL1888015 0.78 MAPT (0.77) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6512630 0.78 HDAC1 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7

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 1/4885CES1 947/4885ESR1 4601/4885

“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.