SCHEMBL5898679

SCHEMBL5898679

NC(=O)c1cc(-c2ccsc2)sc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.64
ALDH1A1 P00352 6/20 0.63
MAPT P10636 6/20 0.63
HDAC6 Q9UBN7 1/20 0.63
GAA P10253 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HPGD P15428 3/20 0.49
ADORA1 P30542 1/20 0.45
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL27749846 0.87 ALDH1A1 (0.66) IKBKBALDH1A1MAPTHDAC6GAA
SCHEMBL613585 0.79 IKBKB (0.71) IKBKBALDH1A1MAPTGAAMEN1
SCHEMBL3510525 0.78 IKBKB (1.00) IKBKBALDH1A1MAPTGAAMEN1
SCHEMBL4082097 0.77 IKBKB (1.00) IKBKBALDH1A1MAPTHDAC6GAA
SCHEMBL5898669 0.77 IKBKB (0.56) IKBKBALDH1A1MAPTHDAC6MEN1
SCHEMBL3507771 0.77 IKBKB (0.73) IKBKBALDH1A1MAPTHDAC6GAA
SCHEMBL3507692 0.76 IKBKB (0.67) IKBKBALDH1A1MAPTHDAC6GAA
SCHEMBL1428039 0.75 IKBKB (0.71) IKBKBALDH1A1MAPTHDAC6GAA
SCHEMBL3508467 0.75 IKBKB (0.71) IKBKBALDH1A1MAPTHDAC6GAA
SCHEMBL1428022 0.75 IKBKB (0.71) IKBKBALDH1A1MAPTHDAC6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 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-20060030596-A1 NF-kappaB inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885ALDH1A1 3653/4885MAPT 1386/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885ALDH1A1 4049/4885MAPT 689/4885

“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.