SCHEMBL898723

SCHEMBL898723

Cc1nc(Br)n(-c2c(F)cccc2F)c1C(O)c1ccc(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 7/20 0.33
PDE7A Q13946 2/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
MDM2 Q00987 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL898213 0.96 NR3C2 (0.35) NR3C2L3MBTL1MAPK14PDE7AGPR139
SCHEMBL899352 0.89 NR3C2 (0.33) NR3C2
SCHEMBL898920 0.89 NR3C2 (0.37) NR3C2L3MBTL1MAPK14PDE7AMAPK13
SCHEMBL899040 0.87 NR3C2 (0.32) NR3C2
SCHEMBL898910 0.85 GLA (0.35) NR3C2MAPK14MAPK13MAPK12MAPK11
SCHEMBL14990208 0.85 MDM2 (0.32) NR3C2MDM2
SCHEMBL898917 0.84 NR3C2 (0.31) NR3C2
SCHEMBL898935 0.84 NR3C2 (0.36) NR3C2L3MBTL1MAPK14PDE7AMAPK11
SCHEMBL899328 0.83 NR3C2 (0.31) NR3C2
SCHEMBL899285 0.82 NR3C2 (0.35) NR3C2MAPK14PDE7AMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP claimed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO claimed
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 NR3C2 2193/4885L3MBTL1 1864/4885MAPK14 3555/4885

“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.