SCHEMBL3022653

SCHEMBL3022653

Nc1ccc(C=NC(=O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP1B1 Q16678 1/20 0.45
CYP19A1 P11511 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PLA2G7 Q13093 2/20 0.42
KMT2A Q03164 6/20 0.41
MAPT P10636 2/20 0.41
MIF P14174 1/20 0.41
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
ESRRG P62508 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL19803857 0.91 PLA2G7 (0.48) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL14327772 0.87 PLA2G7 (0.53) RAB9ANPC1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL3077773 0.87 PLA2G7 (0.53) RAB9ANPC1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL22256386 0.78 BCHE (0.56) RAB9ANPC1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL22256385 0.78 MAOB (0.49) RAB9ANPC1SMN1; SMN2CYP1A2CYP1B1
SCHEMBL3014093 0.77 BCHE (0.57) RAB9ANPC1CYP1B1MAOBKMT2A
SCHEMBL30607018 0.75 CYP1B1 (0.53) RAB9ANPC1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL30607033 0.73 MEN1 (0.48) RAB9ANPC1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL4900468 0.72 TDP1 (0.46) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15689787 0.72 TDP1 (0.46) RAB9ANPC1SMN1; SMN2CYP3A4CYP2C19

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 RAB9A 2132/4885NPC1 2429/4885SMN1; SMN2 3989/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI RAB9A 2229/4885NPC1 2631/4885SMN1; SMN2 3845/4885

“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.