SCHEMBL5898653

SCHEMBL5898653

COc1ccccc1-c1cc(C(N)=O)c(NC(C)=O)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.58
CHEK1 O14757 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
JAK2 O60674 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
AHR P35869 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
JAK3 P52333 1/20 0.50
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
EIF2AK2 P19525 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1681463 0.83 JAK2 (0.53) IKBKBALDH1A1HSD17B10JAK2JAK3
SCHEMBL5898693 0.82 JAK2 (0.61) IKBKBCHEK1ALDH1A1HSD17B10JAK2
SCHEMBL5898658 0.82 JAK2 (0.52) IKBKBALDH1A1HSD17B10JAK2JAK3
SCHEMBL5898675 0.81 CHEK1 (0.62) IKBKBCHEK1ALDH1A1HSD17B10JAK2
SCHEMBL5898695 0.79 JAK2 (0.78) IKBKBJAK2JAK3
SCHEMBL5898673 0.78 JAK2 (0.64) IKBKBCHEK1ALDH1A1HSD17B10JAK2
SCHEMBL5898714 0.78 JAK2 (0.54) IKBKBCHEK1ALDH1A1HSD17B10JAK2
SCHEMBL1383955 0.77 IKBKB (0.82) IKBKBCHEK1KDM4EALDH1A1HSD17B10
SCHEMBL5898652 0.77 CHEK1 (0.83) IKBKBCHEK1KDM4EALDH1A1JAK2
SCHEMBL10051819 0.76 IKBKB (0.70) IKBKBCHEK1HSD17B10JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US claimed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP claimed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US claimed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP claimed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO claimed
US-20060030596-A1 NF-kappaB inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-09 US disclosed
EP-1324759-A4 NF-G(K)B INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-05-12 EP disclosed
US-20040024047-A1 Nf-kb inhibitors SMITHKLINE BEECHMAN CORPORATION 2004-02-05 US disclosed
EP-1324759-A2 NF-G(K)B INHIBITORS SmithKline Beecham Corporation (US) 2003-07-09 EP disclosed
WO-2002030353-A2 NF-λB INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 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 (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 2/4885CHEK1 726/4885KDM4E 1599/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885CHEK1 449/4885KDM4E 1284/4885

“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.