SCHEMBL3024329

SCHEMBL3024329

O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.64
GAA P10253 1/20 0.64
SI P14410 1/20 0.64
MGAM2 Q2M2H8 1/20 0.64
MAOB P27338 6/20 0.61
HSP90AA1 P07900 1/20 0.57
NR2F2 P24468 1/20 0.57
ADAM17 P78536 1/20 0.57
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
BCHE P06276 1/20 0.54
MAOA P21397 4/20 0.54
ACHE P22303 1/20 0.53
CYP1B1 Q16678 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL3024334 1.00 MGAM (0.64) MGAMGAASIMGAM2MAOB
SCHEMBL28244680 0.89 MAOB (0.58) MGAMGAASIMGAM2MAOB
SCHEMBL28244682 0.89 MAOB (0.58) MGAMGAASIMGAM2MAOB
SCHEMBL28244683 0.85 MAOB (0.68) MGAMGAASIMGAM2MAOB
SCHEMBL28244685 0.85 MAOB (0.68) MGAMGAASIMGAM2MAOB
SCHEMBL28245357 0.84 MAOB (0.64) GAAMAOBMAPTMEN1LMNA
SCHEMBL28245360 0.84 MAOB (0.64) GAAMAOBMAPTMEN1LMNA
SCHEMBL30214859 0.84 MAOB (0.64) GAAMAOBMAPTMEN1LMNA
SCHEMBL28459676 0.83 MAOB (0.62) MGAMGAASIMGAM2MAOB
SCHEMBL28459640 0.83 MAOB (0.62) MAOBHSP90AA1MAPTMEN1LMNA

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 11 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-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-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
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
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
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 MGAM 664/4885GAA 12/4885SI 81/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI MGAM 842/4885GAA 22/4885SI 130/4885

“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.