SCHEMBL162629

SCHEMBL162629

Cn1nc(Br)c(C(O)c2ccc(F)cc2Cl)c1-c1c(F)cccc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.36
TRPV1 Q8NER1 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
HSD11B1 P28845 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL164934 0.89 NR3C2 (0.37) NR3C2TRPV1GPR139HSD11B1MEN1
SCHEMBL14990298 0.88 NR3C2 (0.36) NR3C2TRPV1GPR139HSD11B1
SCHEMBL174378 0.85 NR3C2 (0.39) NR3C2TRPV1GPR139
SCHEMBL174579 0.84 NR3C2 (0.36) NR3C2TRPV1GPR139
SCHEMBL174041 0.83 NR3C2 (0.35) NR3C2GPR139HSD11B1MEN1MAPK1
SCHEMBL14990048 0.83 NR3C2 (0.35) NR3C2GPR139HSD11B1MEN1MAPK1
SCHEMBL14990194 0.83 NR3C2 (0.35) NR3C2GPR139HSD11B1MEN1MAPK1
SCHEMBL174348 0.81 NR3C2 (0.38) NR3C2GPR139HSD11B1
SCHEMBL162293 0.81 HSD11B1 (0.36) HSD11B1
SCHEMBL174605 0.80 P2RX7 (0.35) NR3C2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP claimed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US claimed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP claimed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO claimed
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 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 (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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 NR3C2 1905/4885TRPV1 3872/4885GPR139 3780/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 NR3C2 1905/4885TRPV1 3872/4885GPR139 3780/4885

“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.