SCHEMBL461498

SCHEMBL461498

CCOc1ccccc1/C=C/C(=O)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 5/20 0.47
MGAM O43451 4/20 0.47
AMY1A P0DUB6 4/20 0.47
SI P14410 4/20 0.47
MGAM2 Q2M2H8 4/20 0.47
F12 P00748 3/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AR P10275 1/20 0.44
ASAH1 Q13510 1/20 0.42

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
SCHEMBL461499 1.00 MAPT (0.54) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL462921 0.87 F12 (0.60) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL462920 0.87 F12 (0.60) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL15052746 0.77 MAPT (0.54) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL15053261 0.75 JUN (0.54) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL15053260 0.75 JUN (0.54) MAPTNPSR1LMNAKMT2AMEN1
SCHEMBL461244 0.74 MAPT (0.74) MAPTNPSR1KMT2AGAAMGAM
SCHEMBL461243 0.74 MAPT (0.74) MAPTNPSR1KMT2AGAAMGAM
SCHEMBL3462909 0.74 MAPT (0.61) MAPTNPSR1KMT2AGAAMGAM
SCHEMBL2490623 0.74 MAPT (0.61) MAPTNPSR1KMT2AGAAMGAM

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 MAPT 2457/4885NPSR1 4424/4885LMNA 733/4885

“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.