Sugi Predict

Sugi Predict / Compounds / SCHEMBL170491

SCHEMBL170491

SCHEMBL170491

Cc1nn(C)c(Nc2c(F)cc(Br)cc2F)c1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 2/20 0.39
▸ SLC34A1 Q06495 8/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL9997781 0.92 SLC34A1 (0.41) SLC34A1MAPTNPSR1KDM4EHTT
SCHEMBL17200668 0.90 SLC34A1 (0.40) SLC34A1MAPTNPSR1KDM4EHTT
SCHEMBL9997757 0.90 HSD11B1 (0.38) NMT1SLC34A1MAPTNPSR1KDM4E
SCHEMBL170832 0.89 SLC34A1 (0.38) NMT1SLC34A1MAPTNPSR1KDM4E
SCHEMBL173670 0.89 SLC34A1 (0.44) SLC34A1MAPTPGRNR3C2GRM5
SCHEMBL175788 0.88 MAPT (0.37) NMT1SLC34A1MAPTNPSR1KDM4E
SCHEMBL17200664 0.87 SLC34A1 (0.37) NMT1SLC34A1MAPTNPSR1KDM4E
SCHEMBL17288008 0.85 PTGS2 (0.37) NMT1SLC34A1MAPTNPSR1KDM4E
SCHEMBL170971 0.85 SLC34A1 (0.37) NMT1SLC34A1MAPTNPSR1KDM4E
SCHEMBL15974249 0.85 NMT1 (0.40) NMT1MAPTNPSR1KDM4EHTT

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 27 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
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
US-9464056-B2 Fungicidal 4-methylanilino pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2016-10-11 — — US disclosed
EP-2864293-B1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES DU PONT (US) 2016-04-27 — — EP disclosed
CN-104540808-A Fungicidal 4-methylphenylaminopyrazoles DU PONT 2015-04-22 — — CN disclosed
WO-2013192126-A1 FUNGICIDAL 4-METHYLANILINO PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-12-27 — — WO 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
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 — — WO 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 (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 NMT1 1868/4885SLC34A1 2257/4885MAPT 4737/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 NMT1 2699/4885SLC34A1 1917/4885MAPT 3296/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 NMT1 1868/4885SLC34A1 2257/4885MAPT 4737/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 NMT1 1868/4885SLC34A1 2257/4885MAPT 4737/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 NMT1 2699/4885SLC34A1 1917/4885MAPT 3296/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 NMT1 1868/4885SLC34A1 2257/4885MAPT 4737/4885

“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.