SCHEMBL5903929

SCHEMBL5903929

O=C(Cn1ccc(-c2ccc(C(=O)NO)s2)n1)NCCc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.57
▸ HDAC3 O15379 6/20 0.57
▸ HDAC4 P56524 6/20 0.57
▸ HDAC7 Q8WUI4 6/20 0.57
▸ HDAC2 Q92769 6/20 0.57
▸ HDAC10 Q969S8 6/20 0.57
▸ HDAC11 Q96DB2 6/20 0.57
▸ HDAC8 Q9BY41 6/20 0.57
▸ HDAC6 Q9UBN7 6/20 0.57
▸ HDAC9 Q9UKV0 6/20 0.57
▸ HDAC5 Q9UQL6 6/20 0.57
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ERAP2 Q6P179 1/20 0.51
▸ MMP9 P14780 1/20 0.49
▸ AANAT Q16613 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL5903761 0.90 CYP1A2 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903760 0.87 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904013 0.82 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903823 0.78 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903792 0.76 HDAC1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904004 0.73 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903866 0.73 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903713 0.72 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8289901 0.72 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903728 0.71 HDAC1 (0.56) 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 claimed
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

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.

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