SCHEMBL3018987

SCHEMBL3018987

CC(C)(C)OC(=O)Nc1cccc(C=CC(=O)Nc2cccc3[nH]nnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MMP1 P03956 13/20 0.42
MMP2 P08253 13/20 0.42
MMP9 P14780 13/20 0.42
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3021529 0.90 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3013653 0.81 MMP1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3019163 0.80 ALDH1A1 (0.53) HDAC6MMP1MMP2MMP9HDAC4
SCHEMBL3117273 0.79 MMP1 (0.55) MMP1MMP2MMP9MEN1LMNA
SCHEMBL3125158 0.79 MMP1 (0.55) MMP1MMP2MMP9MEN1LMNA
SCHEMBL3023144 0.76 SMN1; SMN2 (0.53) HDAC1MMP1MMP2MMP9MEN1
Cinnamic Acid SCHEMBL17179151 0.76 MMP1 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3026275 0.76 NPC1 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3024623 0.75 MMP1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10262546 0.74 PKM (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6

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 HDAC3 974/4885HDAC1 253/4885HDAC2 431/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI HDAC3 1448/4885HDAC1 362/4885HDAC2 529/4885

“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.