SCHEMBL3206710

SCHEMBL3206710

NC(=O)Nc1[nH]c2cc(-c3cc(Cl)cc(Cl)c3)ccc2c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
RHEB Q15382 1/20 0.40
MAP2 P11137 7/20 0.39
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
KIF11 P52732 1/20 0.34
MAP4K4 O95819 1/20 0.34
CNR1 P21554 1/20 0.34
GPR35 Q9HC97 1/20 0.34
NUDT1 P36639 1/20 0.34
LIN28A Q9H9Z2 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL3212694 0.91 MAP2 (0.42) HDAC6MAP2KIF11MAP4K4CNR1
SCHEMBL3217098 0.90 NUDT1 (0.45) HDAC6MAP2GPR35NUDT1
SCHEMBL3206966 0.85 MEN1 (0.42) MAP2LIN28A
SCHEMBL3220486 0.85 GSK3B (0.42) GSK3BHDAC6KIF11PDGFRBKDR
SCHEMBL9885160 0.84 GSK3B (0.42) GSK3BKIF11PDGFRBKDR
SCHEMBL3206124 0.84 FEN1 (0.44) GSK3BHDAC6RHEBPDGFRBKDR
SCHEMBL3835325 0.84 DYRK1A (0.35) GSK3BKIF11PDGFRBKDR
SCHEMBL3215596 0.83 TNKS2 (0.45) GSK3BHDAC6KIF11PDGFRB
SCHEMBL3217348 0.83 KIF11 (0.48) GSK3BKIF11MAP4K4PDGFRBKDR
SCHEMBL3194737 0.83 CCNC (0.46) GSK3BMAP4K4NUDT1

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 8 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-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
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
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 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
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 GSK3B 278/4885HDAC6 1593/4885RHEB 2209/4885

“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.