SCHEMBL5898698

SCHEMBL5898698

Cc1ccc(-c2cc(C(N)=O)c(N)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.71
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58
TUBB8 Q3ZCM7 2/20 0.58
TUBA3E Q6PEY2 2/20 0.58
TUBA1A Q71U36 2/20 0.58
TUBA1C Q9BQE3 2/20 0.58
TUBB6 Q9BUF5 2/20 0.58
TUBB2B Q9BVA1 2/20 0.58
TUBB1 Q9H4B7 2/20 0.58
GAA P10253 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 4/20 0.55

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
SCHEMBL1681388 0.86 IKBKB (0.74) IKBKBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3507771 0.85 IKBKB (0.73) IKBKBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1684109 0.84 IKBKB (0.67) IKBKBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1428039 0.83 IKBKB (0.71) IKBKBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1428022 0.83 IKBKB (0.71) IKBKBGAAALDH1A1MAPTMEN1
SCHEMBL3510525 0.83 IKBKB (1.00) IKBKBGAAALDH1A1MAPTMEN1
SCHEMBL3510066 0.83 IKBKB (0.65) IKBKBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1682883 0.83 IKBKB (0.65) IKBKBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1579168 0.81 IKBKB (0.63) IKBKBGAAALDH1A1MAPTMEN1
SCHEMBL1427928 0.81 IKBKB (0.63) IKBKBTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO 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 2/4885TUBB4A 849/4885TUBB 510/4885
US-20040024047-A1 Nf-kb inhibitors NFKBIA, IKBKB, IKBKG IKBKB 2/4885TUBB4A 613/4885TUBB 524/4885

“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.