SCHEMBL3024147

SCHEMBL3024147

Nc1ccc(/C=C/C(=O)c2cccnc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 9/20 0.75
CYP1A1 P04798 8/20 0.75
CYP1A2 P05177 8/20 0.75
CYP3A4 P08684 6/20 0.75
CYP2D6 P10635 5/20 0.75
MAPT P10636 4/20 0.74
ALDH1A1 P00352 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
LMNA P02545 1/20 0.67
APP P05067 1/20 0.66
GSK3B P49841 1/20 0.66
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PFKFB3 Q16875 1/20 0.57

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
SCHEMBL3024151 1.00 CYP1B1 (0.75) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16810381 0.87 CYP1A1 (0.73) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1322027 0.86 CYP1A1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1322029 0.86 CYP1A1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1604142 0.86 CYP1A1 (0.77) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31436361 0.86 CYP1A1 (0.77) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31436369 0.86 CYP1A1 (0.77) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL979408 0.86 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20570877 0.86 CYP1A1 (0.82) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9503680 0.86 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6

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 CYP1B1 4160/4885CYP1A1 4506/4885CYP1A2 4198/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI CYP1B1 3940/4885CYP1A1 4421/4885CYP1A2 4176/4885

“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.