SCHEMBL1663071

SCHEMBL1663071

O=C(NO)c1cnc(N2CCN(S(=O)(=O)C3C=CC(c4cccc(CN5CCOCC5)c4)=CC3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.50
HDAC1 Q13547 15/20 0.50
HDAC3 O15379 14/20 0.50
HDAC2 Q92769 14/20 0.50
HDAC4 P56524 13/20 0.50
HDAC7 Q8WUI4 13/20 0.50
HDAC10 Q969S8 13/20 0.50
HDAC11 Q96DB2 13/20 0.50
HDAC8 Q9BY41 13/20 0.50
HDAC9 Q9UKV0 13/20 0.50
HDAC5 Q9UQL6 13/20 0.50
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
AOC3 Q16853 4/20 0.40

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
SCHEMBL10225607 0.82 HDAC1 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1668201 0.81 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1618890 0.80 HDAC1 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL10224693 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL10225860 0.78 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1662846 0.78 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL10224696 0.78 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1663318 0.76 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1662954 0.75 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL1663186 0.73 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC6 8/4885HDAC1 2/4885HDAC3 1/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 HDAC6 5/4885HDAC1 1/4885HDAC3 3/4885

“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.