SCHEMBL3010875

SCHEMBL3010875

O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH]nnc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
HDAC1 Q13547 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRPM2 O94759 1/20 0.48
MAPK1 P28482 2/20 0.47
SNCA P37840 1/20 0.46
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL3010871 1.00 KMT2A (0.54) KMT2ACYP3A4CYP2C9MAPTSMN1; SMN2
SCHEMBL3125158 0.85 MMP1 (0.55) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3117273 0.85 MMP1 (0.55) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3021835 0.84 KMT2A (0.42) KMT2ACYP3A4CYP2C9MAPTSMN1; SMN2
SCHEMBL3023144 0.84 SMN1; SMN2 (0.53) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3024850 0.84 TRPA1 (0.54) KMT2ACYP3A4CYP2C9MAPTSMN1; SMN2
Cinnamic Acid SCHEMBL17179151 0.82 MMP1 (0.51) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3026275 0.81 NPC1 (0.57) KMT2ACYP3A4CYP2C9MAPTSMN1; SMN2
SCHEMBL3020104 0.81 KDR (0.60) KMT2ACYP2C9MAPTSMN1; SMN2NPC1
SCHEMBL3007286 0.81 KDR (0.60) KMT2ACYP2C9MAPTSMN1; SMN2NPC1

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 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.