SCHEMBL3024324

SCHEMBL3024324

O=C(C=Cc1ccc([N+](=O)[O-])cc1)ONc1ccc2[nH]nnc2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 3/20 0.38
MCL1 Q07820 1/20 0.38
MAOB P27338 6/20 0.38
BCHE P06276 1/20 0.38
KRAS P01116 1/20 0.38
MEN1 O00255 2/20 0.37
MAOA P21397 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.78 KMT2A (0.42) TDP1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL4753460 0.74 RAB9A (0.38) TDP1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3013301 0.68 MAPT (0.48) KMT2ASMN1; SMN2POLBMAOBMEN1
SCHEMBL14433147 0.68 MAOB (0.57) KMT2APOLBMAOBBCHEKRAS
SCHEMBL522693 0.68 CA12 (0.62) TDP1KMT2ASMN1; SMN2MAOBBCHE
SCHEMBL1231449 0.68 CA12 (0.62) TDP1KMT2ASMN1; SMN2MAOBBCHE
SCHEMBL8664849 0.66 MAOB (0.54) KMT2ASMN1; SMN2POLBMAOBBCHE
SCHEMBL3010871 0.65 KMT2A (0.54) TDP1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3010875 0.65 KMT2A (0.54) TDP1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL5315888 0.65 MAOB (0.61) KMT2APOLBMAOBBCHEMEN1

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 4 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

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 TDP1 3195/4885KMT2A 2216/4885SMN1; SMN2 3989/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI TDP1 3093/4885KMT2A 2340/4885SMN1; SMN2 3845/4885

“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.