SCHEMBL5904037

SCHEMBL5904037

O=C(NO)c1ccc(-c2ccn(Cc3ccccc3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC3 O15379 12/20 1.00
HDAC4 P56524 12/20 1.00
HDAC7 Q8WUI4 12/20 1.00
HDAC2 Q92769 12/20 1.00
HDAC10 Q969S8 12/20 1.00
HDAC11 Q96DB2 12/20 1.00
HDAC8 Q9BY41 12/20 1.00
HDAC6 Q9UBN7 12/20 1.00
HDAC9 Q9UKV0 12/20 1.00
HDAC5 Q9UQL6 12/20 1.00
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL5903846 0.93 HDAC1 (0.86) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903789 0.89 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903879 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904041 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904103 0.87 HDAC1 (0.76) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903815 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903823 0.83 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903755 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904085 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904013 0.82 HDAC1 (0.72) 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 7 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
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP claimed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO 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
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.