SCHEMBL3014093

SCHEMBL3014093

O=C(N=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
MAOB P27338 1/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP1B1 Q16678 1/20 0.50
KDM4E B2RXH2 1/20 0.50
IKBKB O14920 1/20 0.49
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 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
SCHEMBL19803857 0.85 PLA2G7 (0.48) CES2CES1MAPTMEN1KMT2A
SCHEMBL3077773 0.81 PLA2G7 (0.53) BCHEMAOBCES2CES1MAPT
SCHEMBL14327772 0.81 PLA2G7 (0.53) BCHEMAOBCES2CES1MAPT
SCHEMBL31005085 0.78 IKBKB (0.73) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL3022653 0.77 RAB9A (0.51) MAOBMAPTMEN1KMT2AALDH1A1
SCHEMBL11686964 0.76 MEN1 (0.72) BCHEMAOBMAPTMEN1KMT2A
SCHEMBL7715576 0.75 GRIN2D (0.68) BCHEMAOBCES2CES1MAPT
SCHEMBL7715572 0.75 GRIN2D (0.68) BCHEMAOBCES2CES1MAPT
SCHEMBL7715574 0.75 GRIN2D (0.68) BCHEMAOBCES2CES1MAPT
Benzil SCHEMBL27888964 0.74 CES1 (0.96) BCHEMAOBCES2CES1MEN1

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-9162991-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITY OF OTTAWA (CA) 2015-10-20 US disclosed
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2014-01-23 US disclosed
US-8614233-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITE DE MONTREAL (CA) 2013-12-24 US disclosed
US-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2010-08-12 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 (2 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-20100204280-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TGM1 BCHE 1144/4885MAOB 1977/4885CES2 1305/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI BCHE 1509/4885MAOB 2187/4885CES2 1404/4885

“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.