SCHEMBL3013301

SCHEMBL3013301

O=C(C=Cc1cccc([N+](=O)[O-])c1)ONc1cccc2[nH]nnc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TRPV1 Q8NER1 1/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
PARP1 P09874 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL3021835 0.90 KMT2A (0.42) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL3130519 0.84 RAB9A (0.39) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL3011433 0.84 CYP1A2 (0.44) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL3018879 0.83 MEN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2MAOB
SCHEMBL3010875 0.74 KMT2A (0.54) MAPTTRPV1HTTMEN1KMT2A
SCHEMBL3010871 0.74 KMT2A (0.54) MAPTTRPV1HTTMEN1KMT2A
SCHEMBL1284480 0.72 TRPV1 (0.62) MAPTTRPV1MEN1KMT2AMAOB
SCHEMBL1284478 0.72 TRPV1 (0.62) MAPTTRPV1MEN1KMT2AMAOB
SCHEMBL30913843 0.72 TRPV1 (0.62) MAPTTRPV1MEN1KMT2AMAOB
SCHEMBL10891855 0.70 MAPT (0.59) MAPTHTTMAOBALDH1A1LMNA

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 MAPT 1920/4885TRPV1 4435/4885HTT 2889/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI MAPT 2474/4885TRPV1 4488/4885HTT 3348/4885

“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.