SCHEMBL3133322

SCHEMBL3133322

CS(=O)(=O)NCc1ccc2cc(Oc3c(Br)cc(N)cc3Br)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.37
HDAC2 Q92769 7/20 0.37
NCF1 P14598 5/20 0.36
SCN9A Q15858 4/20 0.36
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
ENPP1 P22413 1/20 0.33
XIAP P98170 1/20 0.33
LTA4H P09960 1/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL3133756 0.86 HDAC1 (0.40) HDAC1HDAC2SCN9AHDAC8HDAC6
SCHEMBL3141417 0.83 THRA (0.51) HDAC1HDAC2SCN9A
SCHEMBL3128252 0.71 SCN9A (0.53) SCN9A
SCHEMBL5137461 0.69 THRA (0.51) HDAC1HDAC2SCN9AHDAC8HDAC6
SCHEMBL3136233 0.68 HDAC1 (0.42) HDAC1HDAC8HDAC6
SCHEMBL3136941 0.67 HDAC1 (0.43) HDAC1HDAC8HDAC6
SCHEMBL3138766 0.67 PDE2A (0.43) HDAC1HDAC2HDAC8HDAC6
SCHEMBL3140699 0.66 THRA (0.54)
SCHEMBL5074424 0.66 CYP1A2 (0.44) HDAC1HDAC2NCF1ENPP3ALPL
SCHEMBL3141004 0.65 THRA (0.53)

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR HDAC1 264/4885HDAC2 565/4885NCF1 4003/4885

“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.