Sugi Predict

Sugi Predict / Compounds / SCHEMBL170832

SCHEMBL170832

SCHEMBL170832

Cc1nn(C)c(Nc2c(F)cc(F)cc2Br)c1-c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC34A1 Q06495 7/20 0.38
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 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
SCHEMBL170510 0.95 MAPT (0.36) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL17200664 0.93 SLC34A1 (0.37) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL175788 0.92 MAPT (0.37) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL9997781 0.91 SLC34A1 (0.41) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL170814 0.91 SLC34A1 (0.39) SLC34A1MEN1KMT2AMAPTNPSR1
SCHEMBL170491 0.89 NMT1 (0.39) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL170971 0.88 SLC34A1 (0.37) SLC34A1PGRNR3C2MAPTNPSR1
SCHEMBL17200653 0.88 MAPT (0.35) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL17288011 0.87 PTGS2 (0.36) SLC34A1PGRNR3C2MEN1KMT2A
SCHEMBL170951 0.87 MAPT (0.40) SLC34A1PGRNR3C2MAPTNPSR1

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 25 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
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2017-06-01 — — US claimed
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 — — CN claimed
EP-2403834-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-12-02 — — EP claimed
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES FMC CORPORATION 2015-10-29 — — US 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-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-23 — — 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
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 (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 SLC34A1 2257/4885PGR 551/4885NR3C2 318/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885PGR 904/4885NR3C2 892/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885PGR 904/4885NR3C2 892/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 SLC34A1 2257/4885PGR 551/4885NR3C2 318/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885PGR 551/4885NR3C2 318/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 SLC34A1 1917/4885PGR 904/4885NR3C2 892/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 SLC34A1 2257/4885PGR 551/4885NR3C2 318/4885

“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.