SCHEMBL3024850

SCHEMBL3024850

O=C(C=Cc1ccc(Cl)cc1)Nc1cccc2[nH]nnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
MMP1 P03956 4/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
EGFR P00533 3/20 0.47
TRPV1 Q8NER1 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 2/20 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
SCHEMBL3117273 0.89 MMP1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3125158 0.89 MMP1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3023144 0.88 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Cinnamic Acid SCHEMBL17179151 0.86 MMP1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL3026275 0.85 NPC1 (0.57) TRPA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3024623 0.84 MMP1 (0.44) TRPA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3010871 0.84 KMT2A (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3010875 0.84 KMT2A (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3028067 0.82 TRPA1 (0.56) TRPA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3013653 0.81 MMP1 (0.48) SMN1; SMN2KDM4EMMP1MMP2MMP9

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 TRPA1 3388/4885NPC1 2429/4885RAB9A 2132/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI TRPA1 3402/4885NPC1 2631/4885RAB9A 2229/4885

“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.