SCHEMBL461243

SCHEMBL461243

O=C(/C=C/c1ccccc1)n1nnc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.74
NPSR1 Q6W5P4 1/20 0.74
GAA P10253 5/20 0.58
F2 P00734 2/20 0.58
MGAM O43451 4/20 0.56
AMY1A P0DUB6 4/20 0.56
SI P14410 4/20 0.56
MGAM2 Q2M2H8 4/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
SLC9A1 P19634 1/20 0.56
FAAH O00519 4/20 0.55
MGLL Q99685 4/20 0.55
DGAT1 O75907 1/20 0.50
KCNMA1 Q12791 1/20 0.49
ENPP3 O14638 1/20 0.48
ALPL P05186 1/20 0.48
XIAP P98170 1/20 0.48
F12 P00748 2/20 0.48
TSHR P16473 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
SCHEMBL461244 1.00 MAPT (0.74) MAPTNPSR1GAAF2MGAM
SCHEMBL463197 0.85 MAPT (0.70) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL463198 0.85 MAPT (0.70) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL462692 0.82 NPSR1 (0.60) MAPTNPSR1GAAF2MGAM
SCHEMBL462691 0.82 NPSR1 (0.60) MAPTNPSR1GAAF2MGAM
SCHEMBL461137 0.81 MAPT (0.66) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL461136 0.81 MAPT (0.66) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL3462909 0.81 MAPT (0.61) MAPTNPSR1GAAF2MGAM
SCHEMBL2490623 0.81 MAPT (0.61) MAPTNPSR1GAAF2MGAM
SCHEMBL15052681 0.80 MAPT (0.60) MAPTNPSR1GAAMGAMAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080303439-A1 Coating composition for interconnection part of electrode and plasma display panel including the same SAMSUNG SDI CO., LTD., A CORP. OF THE REPUBLIC OF KOREA (KR) 2008-12-11 US claimed
US-9162991-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITY OF OTTAWA (CA) 2015-10-20 US disclosed
US-9162991-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITY OF OTTAWA (CA) 2015-10-20 US disclosed
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-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2014-01-23 US disclosed
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2014-01-23 US 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
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
WO-2012032257-A1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2012-03-15 WO disclosed
US-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2010-08-12 US disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
EP-2014797-A2 Coating composition for interconnection part of electrode and plasma display panel including the same Samsung SDI Co., Ltd. (KR) 2009-01-14 EP disclosed
US-20080303439-A1 Coating composition for interconnection part of electrode and plasma display panel including the same SAMSUNG SDI CO., LTD., A CORP. OF THE REPUBLIC OF KOREA (KR) 2008-12-11 US disclosed
WO-2008144933-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE Université de Montréal (CA) 2008-12-04 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 (3 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 4424/4885GAA 8/4885
US-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TGM1 MAPT 1920/4885NPSR1 4726/4885GAA 12/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI MAPT 2474/4885NPSR1 4764/4885GAA 22/4885

“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.