SCHEMBL375156

SCHEMBL375156

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
MAPK13 O15264 5/20 0.40
MAPK12 P53778 5/20 0.40
MAPK11 Q15759 5/20 0.40
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 3/20 0.31

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
Hydrochloric Acid SCHEMBL2029284 0.85 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL2031846 0.84 MDM2 (0.34) MAPK14MAPK11CES2CES1TP53
SCHEMBL375572 0.82 MDM2 (0.40) MAPK14MDM2
SCHEMBL2034477 0.81 MAPK13 (0.36) MAPK14MAPK13MAPK12MAPK11CES2
SCHEMBL2032961 0.76 MAPK13 (0.33) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL375778 0.75 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL963511 0.74 CES2 (0.47) CES2CES1L3MBTL1MDM2
SCHEMBL5069128 0.74 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1504495 0.72 TTR (0.46) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL2036069 0.72 MAPK13 (0.32) 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.