Sugi Predict

Sugi Predict / Compounds / SCHEMBL2405985

SCHEMBL2405985

SCHEMBL2405985

O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.58
▸ MAPT P10636 2/20 0.51
▸ P2RX7 Q99572 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ GAA P10253 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
Fluopyram SCHEMBL29353266 0.88 GLA (0.59) GLAMAPTP2RX7KMT2AMEN1
Fluopyram SCHEMBL67230 0.88 GLA (0.59) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL13213688 0.87 GLA (0.58) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL726447 0.87 GLA (0.58) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL28357316 0.87 KDM4E (0.62) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL16363567 0.85 GLA (0.56) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL1950946 0.85 GLA (0.55) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL4456238 0.84 GLA (0.65) GLAMAPTP2RX7KMT2AMEN1
SCHEMBL1122733 0.84 GLA (0.54) GLAMAPTP2RX7KMT2AMEN1
Fluopyram SCHEMBL2847533 0.83 GLA (0.53) GLAMAPTP2RX7KMT2AMEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782418-B2 — — 2011-09-28 — — JP claimed
EP-1531673-B1 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-01-04 — — EP claimed
US-20050234110-A1 Novel 2-pyridylethylbenzamide derivative BAYER SAS (FR) 2005-10-20 — — US claimed
EP-1531673-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2005-05-25 — — EP claimed
WO-2004016088-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2004-02-26 — — WO claimed
US-11140903-B2 Fungicidal compositions and methods BAYER CROPSCIENCE LP (US) 2021-10-12 — — US disclosed
US-10390476-B2 Fungicidal compositions and methods BAYER CROPSCIENCE LP (US) 2019-08-27 — — US disclosed
US-20180249623-A1 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP 2018-09-06 — — US disclosed
EP-2642854-B1 METHOD FOR REDUCING THE SUDDEN DEATH SYNDROME OF SOYBEAN USING FLUOPYRAM BAYER IP GMBH (DE) 2017-07-19 — — EP disclosed
US-20130324400-A1 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP (US) 2013-12-05 — — US disclosed
EP-2642854-A2 FUNGICIDAL COMPOSITIONS AND METHODS Bayer Intellectual Property GmbH (DE) 2013-10-02 — — EP disclosed
WO-2012071520-A2 FUNGICIDAL COMPOSITIONS AND METHODS BAYER CROPSCIENCE LP (US) 2012-05-31 — — WO disclosed
US-7572818-B2 Fungicides; N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; -{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-iodobenzamide; -{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-bromobenzamide BAYER CROPSCIENCE S.A. (FR) 2009-08-11 — — US disclosed
WO-2007115765-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2007-10-18 — — WO disclosed
WO-2007115768-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS COMPRISING A PYRAZOLE-4-CARBOXAMIDE FUNGICIDE AND AT LEAST TWO FURTHER PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-10-18 — — WO disclosed
WO-2007115767-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2007-10-18 — — WO disclosed
EP-1531673-B1 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-01-04 — — EP disclosed
US-20050234110-A1 Novel 2-pyridylethylbenzamide derivative BAYER SAS (FR) 2005-10-20 — — US disclosed
EP-1531673-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2005-05-25 — — EP disclosed
WO-2004016088-A2 NOVEL 2-PYRIDYLETHYLBENZAMIDE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2004-02-26 — — 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 (5 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-20050234110-A1 Novel 2-pyridylethylbenzamide derivative PNPO, PAH, CNPY2 GLA 1133/4885MAPT 4642/4885P2RX7 1009/4885
US-20180249623-A1 FUNGICIDAL COMPOSITIONS AND METHODS CASP3, CASP9, CASP7 GLA 1180/4885MAPT 3723/4885P2RX7 1829/4885
US-20130324400-A1 FUNGICIDAL COMPOSITIONS AND METHODS CASP3, CASP9, CASP7 GLA 1180/4885MAPT 3723/4885P2RX7 1829/4885
US-10390476-B2 Fungicidal compositions and methods CASP3, CASP9, CASP7 GLA 1180/4885MAPT 3723/4885P2RX7 1829/4885
US-11140903-B2 Fungicidal compositions and methods CASP3, CASP9, CASP7 GLA 1180/4885MAPT 3723/4885P2RX7 1829/4885

“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.