SCHEMBL4877345

SCHEMBL4877345

O=C(c1ccc(=O)n(-c2c(Cl)cc(Br)cc2Cl)c1)c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 1/20 0.36
RORC P51449 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL4877819 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL4876877 0.84 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL4876099 0.80 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL4874499 0.80 ALDH1A1 (0.42) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4877851 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL4924074 0.78 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL4917597 0.77 THRB (0.39) MAPK14MAPK13MAPK12MAPK11HTT
SCHEMBL4913334 0.75 MAPK14 (0.33) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4913330 0.75 MAPK14 (0.33) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4876312 0.74 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11CES2

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.