SCHEMBL3781505

SCHEMBL3781505

COC/C=C/c1cn(COCC[Si](C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.37
▸ EGFR P00533 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ DGAT1 O75907 3/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ABCC2 Q92887 2/20 0.32
▸ NPC1 O15118 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
SCHEMBL1049931 0.83 KRAS (0.41) DYRK1AEGFRIGF1RSRCFLT4
SCHEMBL29119637 0.77 DGAT1 (0.38) DYRK1AEGFRIGF1RSRCFLT4
SCHEMBL30578254 0.77 DGAT1 (0.38) DYRK1AEGFRIGF1RSRCFLT4
SCHEMBL1083533 0.76 IDO1 (0.42) DYRK1AEGFRIGF1RSRCFLT4
SCHEMBL31748494 0.74 SMN1; SMN2 (0.49) —
SCHEMBL19643590 0.74 KRAS (0.48) IDO1
SCHEMBL29704430 0.74 KRAS (0.48) IDO1
SCHEMBL15635760 0.72 IDO1 (0.44) EGFRIGF1RSRCFLT4KDR
SCHEMBL31748718 0.71 GAA (0.39) DYRK1AEGFRIGF1RSRCFLT4
SCHEMBL13057796 0.70 EGFR (0.39) EGFRIGF1RSRCFLT4KDR

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-7851634-B2 5-amino 4-hydroxy-7-(1H-indolmethyl)-8-methylnonamide derivatives as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2010-12-14 — — US disclosed
EP-1717226-B1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDOL-5-YL)-OCTAN AMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2009-01-21 — — EP disclosed
US-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension NOVARTIS AG (CH) 2008-11-13 — — US disclosed
EP-1724259-A1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDAZOL-5-YL)-OCTAN AMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-11-22 — — EP disclosed
EP-1717226-A1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDOL-5-YL)-OCTAN AMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-11-02 — — EP disclosed
EP-1712548-A2 5-AMINO-4-HYDROXY-7-(PYRIDINYLMETHYL)-ALKANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2006-10-18 — — 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-20080280895-A1 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 DYRK1A 3719/4885EGFR 1167/4885IGF1R 573/4885

“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.

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