SCHEMBL726447

SCHEMBL726447

O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1I

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.58
P2RX7 Q99572 1/20 0.52
MAPT P10636 1/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
PPARD Q03181 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42

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 SCHEMBL2847533 0.95 GLA (0.53) GLAP2RX7MAPTKMT2AMEN1
SCHEMBL4006228 0.93 GLA (0.53) GLAP2RX7MAPTKMT2AMEN1
Fluopyram SCHEMBL29353266 0.88 GLA (0.59) GLAP2RX7MAPTKMT2AMEN1
Fluopyram SCHEMBL67230 0.88 GLA (0.59) GLAP2RX7MAPTKMT2AMEN1
SCHEMBL28357316 0.87 KDM4E (0.62) GLAP2RX7MAPTKMT2AMEN1
SCHEMBL2405985 0.87 GLA (0.58) GLAP2RX7MAPTKMT2AMEN1
SCHEMBL13213688 0.87 GLA (0.58) GLAP2RX7MAPTKMT2AMEN1
SCHEMBL3430049 0.85 P2RX7 (0.48) P2RX7MAPTKMT2AMEN1POLB
SCHEMBL16363567 0.85 GLA (0.56) GLAP2RX7MAPTKMT2AMEN1
SCHEMBL1950946 0.85 GLA (0.55) GLAP2RX7MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210022341-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-01-28 US claimed
US-10827754-B2 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the ergosterol biosynthesis BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-11-10 US claimed
US-20190014781-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-17 US claimed
US-20170000123-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE TRANSPORT OF ELECTRONS OF THE RESPIRATORY CHAIN IN PHYTOPATHOGENIC FUNGAL ORGANISMS BAYER INTELLECTUAL PROPERTY GMBH 2017-01-05 US claimed
US-20160345579-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-12-01 US claimed
US-9445590-B2 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the transport of electrons of the respiratory chain in phytopathogenic fungal organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-20 US claimed
US-8410020-B2 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the methionine biosynthesis BAYER CROPSCIENCE AG (DE) 2013-04-02 US claimed
US-20120184555-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE AG (DE) 2012-07-19 US claimed
JP-4794570-B2 2011-10-19 JP claimed
JP-4782418-B2 2011-09-28 JP claimed
WO-2005077179-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE MELANIN BIOSYNTHISIS BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
WO-2005077182-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE METHIONINE BIOSYNTHESIS BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
WO-2005077180-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING MITOSIS AND CELL DIVISION BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
WO-2005077183-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
WO-2005077181-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE SPORES GERMINATION OR MYCELIUM GROWTH BY ACTING ON DIFFERENT METABOLIC ROUTES BAYER CROPSCIENCE SA (FR) 2005-08-25 WO claimed
EP-1563733-A1 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting mitosis and cell division Bayer CropScience S.A. (FR) 2005-08-17 EP claimed
EP-1563731-A1 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the ergosterol biosynthesis Bayer CropScience S.A. (FR) 2005-08-17 EP claimed
EP-1563732-A1 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the melanin biosynthesis Bayer CropScience S.A. (FR) 2005-08-17 EP 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

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-20120184555-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS CYP51A1, ERG28, LSS GLA 411/4885P2RX7 4488/4885MAPT 3208/4885
US-20190014781-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS CYP51A1, ERG28, LSS GLA 411/4885P2RX7 4488/4885MAPT 3208/4885
US-10827754-B2 Fungicidal composition comprising a pyridylethylbenzamide derivative and a compound capable of inhibiting the ergosterol biosynthesis CYP51A1, ERG28, LSS GLA 411/4885P2RX7 4488/4885MAPT 3208/4885
US-20170000123-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE TRANSPORT OF ELECTRONS OF THE RESPIRATORY CHAIN IN PHYTOPATHOGENIC FUNGAL ORGANISMS SLC25A21, SLC25A1, ETFB GLA 2234/4885P2RX7 1755/4885MAPT 2088/4885
US-20160345579-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS CYP51A1, ERG28, CYP17A1 GLA 581/4885P2RX7 4395/4885MAPT 3571/4885
US-20210022341-A1 FUNGICIDAL COMPOSITION COMPRISING A PYRIDYLETHYLBENZAMIDE DERIVATIVE AND A COMPOUND CAPABLE OF INHIBITING THE ERGOSTEROL BIOSYNTHESIS ERG28, CYP51A1, CYP21A2 GLA 803/4885P2RX7 2552/4885MAPT 2842/4885

“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.