SCHEMBL4875008

SCHEMBL4875008

COC(c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1)c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.39
MAPK11 Q15759 4/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
NR3C2 P08235 2/20 0.34
CHRNA7 P36544 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL4878743 0.72 MAPK14 (0.37) MAPK14MAPK11MAPK13MAPK12IDO1
Hydrochloric Acid SCHEMBL2029694 0.70 SLC6A2 (0.35) MAPK14MAPK11MAPK13MAPK12IDO1
SCHEMBL4876187 0.69 MAPK14 (0.38) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4876194 0.69 MAPK14 (0.38) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4874101 0.68 CHRNA7 (0.42) MAPK14MAPK11MAPK13MAPK12CHRNA7
SCHEMBL4877819 0.68 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12
SCHEMBL375572 0.67 MDM2 (0.40) MAPK14NR3C2
SCHEMBL4873178 0.65 MAPK14 (0.35) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4873184 0.65 MAPK14 (0.35) MAPK14MAPK11MAPK13MAPK12
SCHEMBL4878366 0.65 MAPK14 (0.35) MAPK14

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 13/4885MAPK11 19/4885MAPK13 12/4885

“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.