SCHEMBL3018879

SCHEMBL3018879

O=C(C=Cc1ccccc1[N+](=O)[O-])ONc1cccc2[nH]nnc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.44
STAT3 P40763 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAOB P27338 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL3013301 0.83 MAPT (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3130519 0.83 RAB9A (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3021835 0.83 KMT2A (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3011433 0.76 CYP1A2 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4754402 0.72 CYP1A2 (0.54) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL2687117 0.70 MEN1 (0.71) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6677087 0.70 MEN1 (0.71) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1019784 0.70 MEN1 (0.71) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3256450 0.70 MEN1 (0.75) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3256449 0.70 MEN1 (0.75) MEN1KMT2AALDH1A1LMNAMAPT

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 MEN1 2249/4885KMT2A 2216/4885ALDH1A1 2681/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI MEN1 1801/4885KMT2A 2340/4885ALDH1A1 2815/4885

“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.