SCHEMBL461137

SCHEMBL461137

O=C(C=Cc1cccc([N+](=O)[O-])c1)n1nnc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
MITF O75030 1/20 0.66
LMNA P02545 1/20 0.66
XBP1 P17861 1/20 0.66
HTT P42858 1/20 0.66
MDM2 Q00987 1/20 0.66
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 3/20 0.54
MGAM O43451 2/20 0.54
AMY1A P0DUB6 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ITGB2 P05107 1/20 0.53
ICAM1 P05362 1/20 0.53
ITGAL P20701 1/20 0.53
FAAH O00519 2/20 0.53
MGLL Q99685 2/20 0.53

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
SCHEMBL461136 1.00 MAPT (0.66) MAPTMITFLMNAXBP1HTT
SCHEMBL461243 0.81 MAPT (0.74) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL461244 0.81 MAPT (0.74) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL13209794 0.80 MGAM (0.60) MAPTNPSR1GAAMGAMAMY1A
SCHEMBL462692 0.78 NPSR1 (0.60) MAPTLMNANPSR1GAAMGAM
SCHEMBL462691 0.78 NPSR1 (0.60) MAPTLMNANPSR1GAAMGAM
SCHEMBL29750371 0.74 L3MBTL1 (0.63) MAPTMITFLMNAXBP1HTT
SCHEMBL2744313 0.73 MAPT (0.70) MAPTMITFLMNAHTTGAA
SCHEMBL2744320 0.73 MAPT (0.70) MAPTMITFLMNAHTTGAA
SCHEMBL15052155 0.73 HPGD (0.63) MAPTLMNANPSR1MAOBALDH1A1

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 2457/4885MITF 437/4885LMNA 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.