SCHEMBL3021602

SCHEMBL3021602

O=C(C=Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.69
MMP2 P08253 6/20 0.69
MMP9 P14780 6/20 0.69
EGFR P00533 6/20 0.69
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
DEGS1 O15121 1/20 0.66
RAB9A P51151 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 5/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 4/20 0.64
POLB P06746 1/20 0.64
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
MAPK1 P28482 2/20 0.64
CYP1B1 Q16678 1/20 0.62
LMNA P02545 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL15306486 1.00 MMP1 (0.69) MMP1MMP2MMP9EGFRMAOA
4-Nitro-Cinnamanilide SCHEMBL3021597 0.94 MAPT (0.72) MMP1MMP2MMP9EGFRMAOA
4-Nitro-(4'-Nitro)Cinnamanilide SCHEMBL5315660 0.92 KMT2A (0.70) MMP1MMP2MMP9EGFRMAOA
SCHEMBL11590995 0.86 EGFR (0.92) MMP1MMP2MMP9EGFRMAOA
SCHEMBL23547197 0.85 TRPV1 (0.73) MMP1MMP2MMP9EGFRMAOA
SCHEMBL6754380 0.85 TRPV1 (0.73) MMP1MMP2MMP9EGFRMAOA
SCHEMBL6754378 0.85 TRPV1 (0.73) MMP1MMP2MMP9EGFRMAOA
SCHEMBL13675878 0.82 TRPV1 (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
N-Phenylcinnamamide SCHEMBL3667414 0.82 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA
N-Phenylcinnamamide SCHEMBL4205896 0.82 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOA

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
CN-105017254-B 4‑(4‑((6 base of 9H purine)Sulphur)Phenyl)2 amine derivative of thiazolyl and its production and use 四川大学 2017-04-05 CN disclosed
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 MMP1 223/4885MMP2 43/4885MMP9 208/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI MMP1 119/4885MMP2 32/4885MMP9 178/4885

“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.