SCHEMBL6512704

SCHEMBL6512704

O=C(Nc1ccc2sc(C(=O)NO)cc2c1)c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.76
GAA P10253 1/20 0.54
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
KCNK3 O14649 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AHR P35869 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
SCHEMBL1886609 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6509553 0.85 HDAC1 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1886001 0.85 HDAC1 (0.73) HDAC1LMNAKCNK3HDAC3HDAC2
SCHEMBL6511964 0.84 HDAC1 (0.76) HDAC1POLBHDAC3HDAC4HDAC7
SCHEMBL6514967 0.83 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22718544 0.83 HDAC1 (0.74) HDAC1HDAC3HDAC11HDAC8HDAC6
SCHEMBL1894177 0.82 HDAC1 (0.85) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6509337 0.81 HDAC1 (0.71) HDAC1LMNAHDAC3HDAC2HDAC8
SCHEMBL6514838 0.81 HDAC1 (0.71) HDAC1LMNAKCNK3HDAC3HDAC4
SCHEMBL6508477 0.81 HDAC1 (0.71) HDAC1GAAHDAC6SMN1; SMN2RAB9A

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 1/4885GAA 392/4885MAPK1 3725/4885

“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.