SCHEMBL4855647

SCHEMBL4855647

CCCCNCCN1C(=O)C=C(Br)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.41
SIRT1 Q96EB6 2/20 0.37
DYRK3 O43781 1/20 0.37
RPS6KB1 P23443 1/20 0.37
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CYP1A2 P05177 2/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
GAA P10253 2/20 0.34
HEXA P06865 2/20 0.33
HEXB P07686 2/20 0.33
OGA O60502 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL4852834 0.83 RGS4 (0.47) RGS4PTGS1PTGS2MGLLFAAH
SCHEMBL4851652 0.80 RGS4 (0.40) RGS4HEXAHEXBOGAALDH1A1
SCHEMBL3469706 0.79 RGS4 (0.50) RGS4PTGS1PTGS2MGLLFAAH
SCHEMBL18919456 0.74 RGS4 (0.40) RGS4SIRT1
SCHEMBL22920989 0.72 HEXA (0.39) SIRT1DYRK3RPS6KB1EPHA2FLT4
SCHEMBL3470129 0.72 RGS4 (0.53) RGS4MGLLTSHRALDH1A1MEN1
SCHEMBL10282631 0.71 SIRT1 (0.60) SIRT1DYRK3RPS6KB1EPHA2FLT4
SCHEMBL22824824 0.70 MGLL (0.67) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4852057 0.69 RGS4 (0.50) RGS4HEXAHEXBALDH1A1MEN1
SCHEMBL4845878 0.68 RGS4 (0.46) RGS4HEXAHEXBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378419-B2 9-amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2008-05-27 US disclosed
EP-1664055-B9 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2007-10-10 EP disclosed
EP-1664055-B1 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2006-12-13 EP disclosed
US-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-02 US 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-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives SIK2, PTK2B, PLK2 RGS4 3547/4885SIRT1 4284/4885DYRK3 24/4885

“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.