SCHEMBL3013653

SCHEMBL3013653

Cc1cccc(C=CC(=O)Nc2cccc3[nH]nnc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.48
MMP2 P08253 12/20 0.48
MMP9 P14780 12/20 0.48
EGFR P00533 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC4 P56524 2/20 0.41
MEF2D Q14814 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3023144 0.88 SMN1; SMN2 (0.53) MMP1MMP2MMP9EGFRTP53
SCHEMBL3125158 0.87 MMP1 (0.55) MMP1MMP2MMP9EGFRMAOA
SCHEMBL3117273 0.87 MMP1 (0.55) MMP1MMP2MMP9EGFRMAOA
SCHEMBL3019163 0.86 ALDH1A1 (0.53) MMP1MMP2MMP9MAOBTP53
Cinnamic Acid SCHEMBL17179151 0.84 MMP1 (0.51) MMP1MMP2MMP9EGFRMAOA
SCHEMBL3024850 0.81 TRPA1 (0.54) MMP1MMP2MMP9EGFRTP53
SCHEMBL3026275 0.81 NPC1 (0.57) MMP1MMP2MMP9EGFRTP53
SCHEMBL3018987 0.81 HDAC3 (0.49) MMP1MMP2MMP9EGFRMAOA
SCHEMBL3007392 0.81 MMP1 (0.46) MMP1MMP2MMP9EGFRTP53
SCHEMBL3024623 0.80 MMP1 (0.44) MMP1MMP2MMP9EGFRMAOB

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 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.