SCHEMBL419538

SCHEMBL419538

Cc1nnc(-c2ccc(Oc3ccccc3)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHEK2 O96017 6/20 0.44
MAPK13 O15264 1/20 0.44
GCGR P47871 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
LTA4H P09960 4/20 0.44
NPC1 O15118 1/20 0.44
SCN4A P35499 1/20 0.44
RAB9A P51151 1/20 0.44
TLR8 Q9NR97 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
TSHR P16473 1/20 0.41
GSTP1 P09211 1/20 0.41

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
SCHEMBL417398 0.85 DHODH (0.47) DHODHPOLBL3MBTL1CHEK2MAPK13
SCHEMBL416642 0.83 POLB (0.56) POLBL3MBTL1MAPK13GCGRMAPK12
SCHEMBL8819870 0.83 NPC1 (0.48) DHODHPOLBL3MBTL1CHEK2MAPK13
SCHEMBL416435 0.83 POLB (0.60) POLBL3MBTL1MAPK13MAPK12MAPK11
SCHEMBL418165 0.80 KDM4E (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL419175 0.77 BRD4 (0.44) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL417139 0.75 NISCH (0.45) POLBL3MBTL1MAPK13GCGRMAPK12
SCHEMBL421229 0.74 MAPK14 (0.47) POLBCHEK2MAPK14NPC1RAB9A
SCHEMBL416396 0.73 RAB9A (0.57) POLBNPC1RAB9ATSHR
SCHEMBL823787 0.72 MAPK13 (0.43) POLBL3MBTL1MAPK13GCGRMAPK12

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 DHODH 4571/4885POLB 4824/4885L3MBTL1 2408/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 DHODH 4571/4885POLB 4824/4885L3MBTL1 2408/4885

“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.