SCHEMBL162293

SCHEMBL162293

Cn1nc(Br)c(C(O)c2ccc(F)cc2F)c1-c1ccc(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
SLC34A1 Q06495 3/20 0.34
IGF1R P08069 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.31
GRM5 P41594 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
P2RX7 Q99572 2/20 0.31
CYP3A4 P08684 2/20 0.31
CNR1 P21554 1/20 0.30
IDO1 P14902 2/20 0.30
TDO2 P48775 2/20 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
SCHEMBL14990292 0.87 HSD11B1 (0.39) HSD11B1SLC34A1IGF1RGRM5P2RX7
SCHEMBL174404 0.82 CRHR1 (0.38) HSD11B1SLC34A1CYP3A4CNR1
SCHEMBL162629 0.81 NR3C2 (0.36) HSD11B1
SCHEMBL14990301 0.80 HSD11B1 (0.40) HSD11B1SLC34A1IGF1RSCN10AP2RX7
SCHEMBL14990309 0.77 GRM5 (0.40) SLC34A1GRM5CES2CES1CYP3A4
SCHEMBL174736 0.77 HSD11B1 (0.40) HSD11B1SLC34A1IGF1RGRM5P2RX7
SCHEMBL170324 0.76 HSD11B1 (0.39) HSD11B1SLC34A1IGF1RP2RX7CYP3A4
SCHEMBL174334 0.74 HSD11B1 (0.43) HSD11B1SLC34A1IGF1RSCN10AP2RX7
SCHEMBL174364 0.73 MAPT (0.35) HSD11B1SLC34A1GRM5P2RX7CYP3A4
SCHEMBL14990200 0.73 HSD11B1 (0.39) HSD11B1IGF1RP2RX7

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 HSD11B1 886/4885SLC34A1 2543/4885IGF1R 2269/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 HSD11B1 886/4885SLC34A1 2543/4885IGF1R 2269/4885

“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.