SCHEMBL174579

SCHEMBL174579

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33
P2RX7 Q99572 2/20 0.31
RIPK1 Q13546 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
TRPV1 Q8NER1 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 0.86 NR3C2 (0.37) NR3C2NR3C1GPR139TRPV1
SCHEMBL14990298 0.85 NR3C2 (0.36) NR3C2ARGPR139P2RX7TRPV1
SCHEMBL162629 0.84 NR3C2 (0.36) NR3C2GPR139TRPV1
SCHEMBL174378 0.82 NR3C2 (0.39) NR3C2NR3C1GPR139TRPV1
SCHEMBL174041 0.81 NR3C2 (0.35) NR3C2ARGPR139P2RX7LMNA
SCHEMBL14990048 0.81 NR3C2 (0.35) NR3C2ARGPR139P2RX7LMNA
SCHEMBL14990194 0.81 NR3C2 (0.35) NR3C2ARGPR139P2RX7LMNA
SCHEMBL174348 0.78 NR3C2 (0.38) NR3C2NR3C1GPR139
SCHEMBL173388 0.77 HSD11B1 (0.36) NR3C2ARGPR139P2RX7TRPV1
SCHEMBL174605 0.77 P2RX7 (0.35) NR3C2ARP2RX7

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 NR3C2 1905/4885NR3C1 1969/4885AR 3667/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 NR3C2 1905/4885NR3C1 1969/4885AR 3667/4885

“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.