SCHEMBL375778

SCHEMBL375778

O=C(Cc1ccc(F)cc1F)c1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.42
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
MAOB P27338 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
PPARG P37231 1/20 0.35
TP53 P04637 1/20 0.35
MAPK8 P45983 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GRIN2B Q13224 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2032916 0.82 PTGDR2 (0.37) MAPK14MAPK11MAOBHTR2APTGDR2
SCHEMBL375227 0.82 TP53 (0.41) TP53
SCHEMBL5069128 0.77 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL7259829 0.76 RAB9A (0.50) MAOBMAPK8GRIN2B
SCHEMBL1504495 0.75 TTR (0.46) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL375156 0.75 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL2031249 0.74 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL2031253 0.74 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11TP53
Hydrochloric Acid SCHEMBL2029284 0.74 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL1504761 0.74 ALDH1A1 (0.38) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810972-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-25 EP disclosed
US-7968572-B2 Nitrogen-containing heterocyclic compound and pharmaceutical application thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2011-06-28 US disclosed
US-7713998-B2 Nitrogenous heterocyclic compound and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2010-03-11 US disclosed
EP-1932840-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
US-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1810972-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 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 (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-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof MAPK1, MAPK13, MAPK6 MAPK14 6/4885MAPK13 2/4885MAPK12 8/4885
US-20100063104-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF NOS2, NOS1, MAPK1 MAPK14 8/4885MAPK13 12/4885MAPK12 17/4885

“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.