SCHEMBL3829633

SCHEMBL3829633

CC(C)SCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 5/20 0.36
KIF11 P52732 3/20 0.34
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
NR3C2 P08235 2/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3830984 0.87 NPC1 (0.40) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3217246 0.85 KDM4E (0.35) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL9885138 0.83 ALDH1A1 (0.36) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3834575 0.83 PDGFRB (0.36) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3209318 0.83 PDGFRB (0.45) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3832900 0.81 KDM4E (0.34) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3835634 0.81 ALDH1A1 (0.40) KDM4EALDH1A1PDGFRBKDRNR3C2
SCHEMBL3205898 0.81 PARP1 (0.40) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3835837 0.81 PARP1 (0.40) KDM4EALDH1A1KIF11PDGFRBKDR
SCHEMBL3219057 0.81 GSK3B (0.37) KDM4EALDH1A1KIF11PDGFRBKDR

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 5 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
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 KDM4E 1670/4885ALDH1A1 3077/4885EPHX1 4244/4885

“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.