SCHEMBL462691

SCHEMBL462691

COc1cccc(/C=C/C(=O)n2nnc3ccccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 2/20 0.60
F12 P00748 4/20 0.55
GAA P10253 3/20 0.53
MGAM O43451 2/20 0.53
AMY1A P0DUB6 2/20 0.53
SI P14410 2/20 0.53
MGAM2 Q2M2H8 2/20 0.53
BCHE P06276 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1B1 Q16678 1/20 0.49
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
MIF P14174 1/20 0.47

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
SCHEMBL462692 1.00 NPSR1 (0.60) NPSR1MAPTF12GAAMGAM
SCHEMBL463198 0.87 MAPT (0.70) NPSR1MAPTF12GAAMGAM
SCHEMBL463197 0.87 MAPT (0.70) NPSR1MAPTF12GAAMGAM
SCHEMBL461243 0.82 MAPT (0.74) NPSR1MAPTF12GAAMGAM
SCHEMBL461244 0.82 MAPT (0.74) NPSR1MAPTF12GAAMGAM
SCHEMBL15053260 0.82 JUN (0.54) NPSR1MAPTF12GAAMGAM
SCHEMBL15053261 0.82 JUN (0.54) NPSR1MAPTF12GAAMGAM
SCHEMBL15052681 0.81 MAPT (0.60) NPSR1MAPTF12GAAMGAM
SCHEMBL15052680 0.81 MAPT (0.60) NPSR1MAPTF12GAAMGAM
SCHEMBL15053022 0.79 MAPT (0.57) NPSR1MAPTF12GAAMGAM

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-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
EP-2614046-A1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES Produits Chimiques Auxiliaires et de Synthese (FR) 2013-07-17 EP disclosed
US-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2013-06-27 US disclosed
WO-2012032257-A1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2012-03-15 WO 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 NPSR1 4424/4885MAPT 2457/4885F12 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.