SCHEMBL5904047

SCHEMBL5904047

O=C(O)c1ccc(-c2ccn(CCCc3ccccc3)n2)s1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.80
HDAC3 O15379 10/20 0.80
HDAC4 P56524 10/20 0.80
HDAC7 Q8WUI4 10/20 0.80
HDAC2 Q92769 10/20 0.80
HDAC10 Q969S8 10/20 0.80
HDAC11 Q96DB2 10/20 0.80
HDAC8 Q9BY41 10/20 0.80
HDAC6 Q9UBN7 10/20 0.80
HDAC9 Q9UKV0 10/20 0.80
HDAC5 Q9UQL6 10/20 0.80
FAAH O00519 1/20 0.47
KDM4E B2RXH2 1/20 0.45
DGAT1 O75907 1/20 0.43
NR4A2 P43354 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5903786 0.92 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903815 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903879 0.84 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903824 0.82 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903950 0.82 HDAC1 (0.83) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904041 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903722 0.79 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904007 0.78 HDAC1 (0.61) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903767 0.78 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903914 0.78 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2

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
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LIMITED 2006-06-08 US disclosed
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 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-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 7/4885HDAC4 8/4885

“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.