SCHEMBL3028067

SCHEMBL3028067

O=C(C=Cc1ccccc1Cl)Nc1cccc2[nH]nnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.56
RAB9A P51151 11/20 0.52
MAPT P10636 10/20 0.52
NPC1 O15118 9/20 0.52
MAOB P27338 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 9/20 0.49
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
PKM P14618 1/20 0.49
MAOA P21397 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL3007392 0.86 MMP1 (0.46) TRPA1TRPM8RAB9AMAPTNPC1
SCHEMBL3018727 0.83 TRPA1 (0.58) TRPA1TRPM8RAB9AMAPTNPC1
SCHEMBL3125158 0.83 MMP1 (0.55) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL3117273 0.83 MMP1 (0.55) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL3024850 0.82 TRPA1 (0.54) TRPA1RAB9AMAPTNPC1CYP3A4
Cinnamic Acid SCHEMBL17179151 0.80 MMP1 (0.51) RAB9AMAPTNPC1MAOBSMN1; SMN2
SCHEMBL3023144 0.78 SMN1; SMN2 (0.53) RAB9AMAPTNPC1CYP1A2CYP2C19
SCHEMBL3010871 0.76 KMT2A (0.54) RAB9AMAPTNPC1CYP3A4CYP2C9
SCHEMBL3010875 0.76 KMT2A (0.54) RAB9AMAPTNPC1CYP3A4CYP2C9
SCHEMBL3013653 0.76 MMP1 (0.48) MAPTMAOBSMN1; SMN2MAOAHDAC1

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
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
WO-2008144933-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE Université de Montréal (CA) 2008-12-04 WO 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 3388/4885TRPM8 3124/4885RAB9A 2132/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI TRPA1 3402/4885TRPM8 3169/4885RAB9A 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.