SCHEMBL3021835

SCHEMBL3021835

O=C(C=Cc1ccc([N+](=O)[O-])cc1)ONc1cccc2[nH]nnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SNCA P37840 1/20 0.42
BCHE P06276 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
CYP1B1 Q16678 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38

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 0.90 MAPT (0.48) KMT2AMAOBSMN1; SMN2MAPTNPC1
SCHEMBL3130519 0.86 RAB9A (0.39) KMT2ACYP2C9SMN1; SMN2MAPTRAB9A
SCHEMBL3010871 0.84 KMT2A (0.54) KMT2ACYP3A4CYP2C9SNCASMN1; SMN2
SCHEMBL3010875 0.84 KMT2A (0.54) KMT2ACYP3A4CYP2C9SNCASMN1; SMN2
SCHEMBL3018879 0.83 MEN1 (0.48) KMT2AMAOBSMN1; SMN2MAPTNPC1
SCHEMBL3024324 0.78 TDP1 (0.41) KMT2ACYP3A4CYP2C9BCHEMAOB
SCHEMBL3020104 0.74 KDR (0.60) KMT2ACYP2C9SMN1; SMN2MAPTNPC1
SCHEMBL3007286 0.74 KDR (0.60) KMT2ACYP2C9SMN1; SMN2MAPTNPC1
SCHEMBL3018977 0.69 LMNA (0.48) KMT2ASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3018973 0.69 LMNA (0.48) KMT2ASMN1; SMN2MAPTNPC1RAB9A

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 KMT2A 2216/4885CYP3A4 4311/4885CYP2C9 3137/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI KMT2A 2340/4885CYP3A4 4520/4885CYP2C9 3236/4885

“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.