SCHEMBL4879036

SCHEMBL4879036

Cc1cccc(C)c1-n1cc(C(=NO)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
TYMP P19971 2/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA7 P36544 1/20 0.31
SCN2B O60939 1/20 0.30
SCN1B Q07699 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL4879034 1.00 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11TYMP
SCHEMBL4876312 0.86 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL4876311 0.86 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL4877851 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL4871335 0.80 HTR1A (0.34) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL4875278 0.80 KMT2A (0.40) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4871343 0.80 HTR1A (0.34) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL4875287 0.80 KMT2A (0.40) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4879463 0.79 SYK (0.36) MAPK14TP53KMT2A
SCHEMBL4879459 0.79 SYK (0.36) MAPK14TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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 (1 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 MAPK14 13/4885MAPK13 12/4885MAPK12 28/4885

“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.