SCHEMBL3201717

SCHEMBL3201717

NC(=O)Nc1[nH]c2cc(C=CC3CCCCC3)ccc2c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.37
PADI4 Q9UM07 2/20 0.32
MAOB P27338 2/20 0.32
GSK3B P49841 2/20 0.32
FAAH O00519 1/20 0.32
JAK2 O60674 3/20 0.32
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL3201700 1.00 TBK1 (0.37) TBK1PADI4MAOBGSK3BFAAH
SCHEMBL3206866 0.94 MAOB (0.34) TBK1PADI4MAOBGSK3BKIF11
SCHEMBL3206848 0.94 MAOB (0.34) TBK1PADI4MAOBGSK3BKIF11
SCHEMBL13613349 0.81 KIF11 (0.35) GSK3BKIF11
SCHEMBL3201832 0.80 GSK3B (0.43) GSK3BKIF11
SCHEMBL3204812 0.80 GSK3B (0.43) GSK3BKIF11
SCHEMBL3201820 0.80 GSK3B (0.43) GSK3BKIF11
SCHEMBL3205467 0.79 SIRT2 (0.39) PLAUPLATKIF11
SCHEMBL3205455 0.79 SIRT2 (0.39) PLAUPLATKIF11
SCHEMBL3206697 0.79 KIF11 (0.44) GSK3BKIF11

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-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG TBK1 35/4885PADI4 3988/4885MAOB 2402/4885

“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.