SCHEMBL173411

SCHEMBL173411

Cc1nn(C)c(Nc2c(F)cc(Cl)cc2F)c1-c1ccc(F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 7/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM4 Q14833 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NMT1 P30419 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
HSD11B1 P28845 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
SCHEMBL175788 0.93 MAPT (0.37) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL17200646 0.92 MAPT (0.36) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL173522 0.90 SLC34A1 (0.38) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL29367800 0.89 MAPT (0.36) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL15155523 0.89 MAPT (0.36) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL170510 0.89 MAPT (0.36) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL173670 0.89 SLC34A1 (0.44) SLC34A1MAPTGRM4PGRNR3C2
SCHEMBL17200645 0.89 MAPT (0.36) SLC34A1MAPTKDM4EGALR3HTT
SCHEMBL173677 0.88 HSD11B1 (0.40) SLC34A1GRM4PGRNR3C2CYP1A2
SCHEMBL29368805 0.88 HSD11B1 (0.40) SLC34A1GRM4PGRNR3C2CYP1A2

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 23 patents — showing the first 20. 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
US-9062005-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US claimed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 CN claimed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US 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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN disclosed
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 CN 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
EP-2611296-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 US disclosed
CN-102421756-A fungicidal pyrazole compounds DU PONT 2012-04-18 CN disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
US-20110319430-A1 FUNGICIDAL PYRAZOLES E.I. DU PONT NEMOURS AND COMPANY (US) 2011-12-29 US 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 (6 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 SLC34A1 2257/4885MAPT 4737/4885KDM4E 1087/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885MAPT 3296/4885KDM4E 2963/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 SLC34A1 2257/4885MAPT 4737/4885KDM4E 1087/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885MAPT 4737/4885KDM4E 1087/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885MAPT 3296/4885KDM4E 2963/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885MAPT 4737/4885KDM4E 1087/4885

“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.