SCHEMBL3835634

SCHEMBL3835634

NC(=O)Nc1[nH]c2cc(CSCc3ccccc3)ccc2c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
FEN1 P39748 1/20 0.37
GPR17 Q13304 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
NR3C2 P08235 1/20 0.36
ALOX5 P09917 1/20 0.36
PKM P14618 1/20 0.35
GSK3B P49841 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
CYP2C19 P33261 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3217246 0.87 KDM4E (0.35) ALDH1A1KDM4EPDGFRBKDRNR3C2
SCHEMBL3195778 0.87 NR3C2 (0.49) ALDH1A1KDM4EFEN1GPR17PDGFRB
SCHEMBL3832900 0.86 KDM4E (0.34) ALDH1A1KDM4EPDGFRBKDR
SCHEMBL3834575 0.85 PDGFRB (0.36) ALDH1A1KDM4EPDGFRBKDRALOX5
SCHEMBL3193849 0.85 ALOX5 (0.41) ALDH1A1KDM4EFEN1GPR17PDGFRB
SCHEMBL3830984 0.84 NPC1 (0.40) ALDH1A1KDM4EPDGFRBKDRNR3C2
SCHEMBL3834670 0.84 KIF11 (0.38) ALDH1A1KDM4EPDGFRBKDRNR3C2
SCHEMBL3829352 0.84 MAPT (0.36) ALDH1A1KDM4EMAPT
SCHEMBL3829547 0.81 ALOX5 (0.40) ALDH1A1KDM4EPDGFRBKDRALOX5
SCHEMBL3829633 0.81 KDM4E (0.37) ALDH1A1KDM4EPDGFRBKDRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP 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
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 ALDH1A1 3077/4885KDM4E 1670/4885FEN1 4025/4885

“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.