Sugi Predict

Sugi Predict / Compounds / SCHEMBL169795

SCHEMBL169795

SCHEMBL169795

Cc1nn(C)c(C(O)c2ccc(F)cc2Br)c1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ GCGR P47871 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PDE4B Q07343 1/20 0.31

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
SCHEMBL173227 0.89 HSD11B1 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL170324 0.81 HSD11B1 (0.39) PGRNR3C2CYP1A2CYP3A4CYP2C9
SCHEMBL1726063 0.79 HSD11B1 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15952664 0.77 CES2 (0.33) PGRNR3C2GRM5L3MBTL1KDM4E
SCHEMBL1725413 0.74 HSD11B1 (0.39) PGRNR3C2CYP1A2CYP3A4CYP2C9
SCHEMBL17674698 0.74 PDE2A (0.38) KDM4EPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL1725409 0.72 HSD11B1 (0.39) PGRNR3C2CYP1A2CYP3A4CYP2C9
SCHEMBL672551 0.72 HSD11B1 (0.39) PGRNR3C2CYP1A2CYP3A4CYP2C9
SCHEMBL170951 0.71 MAPT (0.40) PGRNR3C2GAAL3MBTL1KDM4E
SCHEMBL20680789 0.71 HSD11B1 (0.41) —

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-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 — — EP claimed
US-20150230467-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2015-08-20 — — 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-2966063-A1 FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-01-13 — — 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
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 PGR 551/4885NR3C2 318/4885GCGR 3521/4885
US-20130129839-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PGR 904/4885NR3C2 892/4885GCGR 2567/4885
US-20150305339-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PGR 904/4885NR3C2 892/4885GCGR 2567/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 PGR 551/4885NR3C2 318/4885GCGR 3521/4885
US-20150230467-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PGR 551/4885NR3C2 318/4885GCGR 3521/4885
US-20170150719-A1 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES CYP1B1, NOX3, NOX1 PGR 904/4885NR3C2 892/4885GCGR 2567/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 PGR 551/4885NR3C2 318/4885GCGR 3521/4885

“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.