SCHEMBL174334

SCHEMBL174334

Cn1nc(Br)c(I)c1-c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
IGF1R P08069 2/20 0.39
NISCH Q9Y2I1 1/20 0.35
SLC34A1 Q06495 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
GRM2 Q14416 2/20 0.33
P2RX7 Q99572 1/20 0.33
CRHR1 P34998 2/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL162293 0.74 HSD11B1 (0.36) HSD11B1IGF1RSLC34A1SCN10AP2RX7
SCHEMBL173503 0.72 HSD11B1 (0.47) HSD11B1IGF1RNISCHSLC34A1SCN10A
SCHEMBL173889 0.72 HSD11B1 (0.46) HSD11B1IGF1RNISCHSCN10AGRM2
SCHEMBL175200 0.70 HSD11B1 (0.40) HSD11B1IGF1RSLC34A1P2RX7
SCHEMBL171101 0.70 HSD11B1 (0.47) HSD11B1IGF1RNISCHSCN10AP2RX7
SCHEMBL15331398 0.69 HSD11B1 (0.40) HSD11B1IGF1RNISCHSLC34A1SCN10A
SCHEMBL174691 0.69 P2RX7 (0.43) HSD11B1IGF1RSCN10AGRM2P2RX7
SCHEMBL174040 0.69 MAPK1 (0.45) HSD11B1IGF1RSLC34A1P2RX7MAPK14
SCHEMBL174763 0.68 P2RX7 (0.45) HSD11B1IGF1RSCN10AGRM2P2RX7
SCHEMBL174924 0.68 LMNA (0.54) HSD11B1P2RX7

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
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 886/4885IGF1R 2269/4885NISCH 973/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 HSD11B1 886/4885IGF1R 2269/4885NISCH 973/4885

“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.