SCHEMBL1726006

SCHEMBL1726006

Cc1nn(C)c(Oc2ccc(C#N)cc2Cl)c1-c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
SLC22A12 Q96S37 2/20 0.37
HSD11B1 P28845 2/20 0.36
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A2 P23975 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
GPR6 P46095 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PDE2A O00408 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ICMT O60725 1/20 0.33

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
SCHEMBL171000 0.93 AR (0.45) ARSLC22A12SLC6A3SLC6A4KCNH2
SCHEMBL9997403 0.93 AR (0.37) ARSLC22A12HSD11B1GPR6GPR119
SCHEMBL173769 0.84 HSD11B1 (0.36) ARHSD11B1PGRNR3C2PDE2A
SCHEMBL174656 0.83 AR (0.46) ARSLC22A12HSD11B1SLC6A3SLC6A4
SCHEMBL176300 0.83 AR (0.46) ARSLC22A12HSD11B1SLC6A3SLC6A4
SCHEMBL169379 0.83 AR (0.47) ARSLC22A12SLC6A3SLC6A4KCNH2
SCHEMBL1726550 0.82 AR (0.38) ARSLC22A12HSD11B1
SCHEMBL170944 0.80 GPR6 (0.35) ARSLC22A12GPR6GPR119ICMT
SCHEMBL1726094 0.80 GPR6 (0.35) PGRNR3C2GPR6
SCHEMBL3605586 0.80 AR (0.52) ARSLC22A12SLC6A3SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US claimed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US claimed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 WO claimed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
US-9596853-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 EP disclosed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 US disclosed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 US disclosed
US-9107412-B2 Fungicidal pyrazoles and their mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
EP-2403834-A1 Fungicidal pyrazoles E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 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 (7 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-20110319430-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 AR 1113/4885SLC22A12 3193/4885HSD11B1 962/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 AR 2211/4885SLC22A12 4500/4885HSD11B1 1540/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 AR 2211/4885SLC22A12 4500/4885HSD11B1 1540/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 AR 1113/4885SLC22A12 3193/4885HSD11B1 962/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 AR 1113/4885SLC22A12 3193/4885HSD11B1 962/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 AR 2211/4885SLC22A12 4500/4885HSD11B1 1540/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 AR 1113/4885SLC22A12 3193/4885HSD11B1 962/4885

“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.