SCHEMBL4808487

SCHEMBL4808487

O=C(NO)c1cnc(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.68
HDAC4 P56524 9/20 0.68
HDAC1 Q13547 9/20 0.68
HDAC7 Q8WUI4 9/20 0.68
HDAC2 Q92769 9/20 0.68
HDAC10 Q969S8 9/20 0.68
HDAC11 Q96DB2 9/20 0.68
HDAC8 Q9BY41 9/20 0.68
HDAC6 Q9UBN7 9/20 0.68
HDAC9 Q9UKV0 9/20 0.68
HDAC5 Q9UQL6 9/20 0.68
HTR2B P41595 2/20 0.51
CCR6 P51684 2/20 0.50
PHGDH O43175 2/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
USP5 P45974 1/20 0.46

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
SCHEMBL4814338 0.88 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4022511 0.81 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL974223 0.77 SMN1; SMN2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12933234 0.76 CCR6 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12933244 0.75 CCR6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4018579 0.73 HDAC1 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12933235 0.73 CCR6 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14164233 0.73 HDAC6 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL976579 0.73 L3MBTL1 (0.53)
SCHEMBL4292404 0.72 HDAC2 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US claimed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US claimed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 US claimed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 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 (2 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-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 HDAC3 6/4885HDAC4 11/4885HDAC1 1/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC3 6/4885HDAC4 11/4885HDAC1 1/4885

“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.