SCHEMBL15053261

SCHEMBL15053261

COc1ccc(OC)c(C=CC(=O)n2nnc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.54
NFKB1 P19838 1/20 0.54
F12 P00748 4/20 0.54
MGAM O43451 2/20 0.54
AMY1A P0DUB6 2/20 0.54
GAA P10253 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MIF P14174 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49

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
SCHEMBL15053260 1.00 JUN (0.54) JUNNFKB1F12MGAMAMY1A
SCHEMBL462921 0.87 F12 (0.60) F12MGAMAMY1AGAASI
SCHEMBL462920 0.87 F12 (0.60) F12MGAMAMY1AGAASI
SCHEMBL15052744 0.84 MAPT (0.54) F12MGAMAMY1AGAASI
SCHEMBL15052746 0.84 MAPT (0.54) F12MGAMAMY1AGAASI
SCHEMBL463197 0.82 MAPT (0.70) NFKB1F12MGAMAMY1AGAA
SCHEMBL463198 0.82 MAPT (0.70) NFKB1F12MGAMAMY1AGAA
SCHEMBL462692 0.82 NPSR1 (0.60) JUNF12MGAMAMY1AGAA
SCHEMBL462691 0.82 NPSR1 (0.60) JUNF12MGAMAMY1AGAA
SCHEMBL15052681 0.80 MAPT (0.60) F12MGAMAMY1AGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853276-B2 Guanidine derivatives in cinnamic series PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2014-10-07 US disclosed
EP-2614046-B1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PROD CHIM AUXILIAIRES ET DE SYNTHESE (FR) 2014-08-20 EP disclosed
US-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2013-06-27 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-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES GMPS, UNG, AGER JUN 1557/4885NFKB1 376/4885F12 4308/4885

“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.