SCHEMBL13442984

SCHEMBL13442984

CC[S+]([O-])c1c(N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 20/20 0.51
▸ GABRA2 P47869 19/20 0.51
▸ GABRB2 P47870 19/20 0.51
▸ GABRP O00591 17/20 0.51
▸ GABRD O14764 17/20 0.51
▸ GABRA1 P14867 17/20 0.51
▸ GABRB1 P18505 17/20 0.51
▸ GABRG2 P18507 17/20 0.51
▸ GABRA5 P31644 17/20 0.51
▸ GABRA3 P34903 17/20 0.51
▸ GABRA4 P48169 17/20 0.51
▸ GABRE P78334 17/20 0.51
▸ GABRA6 Q16445 17/20 0.51
▸ GABRG1 Q8N1C3 17/20 0.51
▸ GABRG3 Q99928 17/20 0.51
▸ GABRQ Q9UN88 17/20 0.51

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
SCHEMBL7713411 0.89 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7707169 0.89 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL12630585 0.85 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7675454 0.85 GABRP (0.46) GABRB3GABRA2GABRB2GABRPGABRD
Ethiprole SCHEMBL27048 0.85 GABRP (0.56) GABRB3GABRA2GABRB2GABRPGABRD
Ethiprole SCHEMBL15756765 0.85 GABRP (0.56) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5203598 0.84 GABRP (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL12473393 0.84 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7022384 0.82 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7675457 0.82 GABRP (0.54) GABRB3GABRA2GABRB2GABRPGABRD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099717-A1 SUSPENSION CONCENTRATES FOR IMPROVING THE ROOT ABSORPTION OF AGROCHEMICAL ACTIVE INGREDIENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 — — US disclosed
US-20090306147-A1 BIOLOGICAL EFFICACY OF AGROCHEMICAL COMPOSITIONS ON APPLICATION IN THE GROWTH SUBSTRATE SUITABLE FORMULATIONS AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2009-12-10 — — US disclosed
WO-2009118025-A1 METHOD FOR CONTROLLING ANIMAL PEST AND PLANT PATHOGENIC FUNGI BY APPLYING AN AGROCHEMICAL COMPOSITION INTO THE CULTURE MEDIUM, SUITABLE FORMULATION AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-10-01 — — WO disclosed
WO-2009074235-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2009-06-18 — — WO disclosed
EP-2070412-A1 Pesticidal compound mixtures Bayer CropScience AG (DE) 2009-06-17 — — EP disclosed
WO-2009071182-A1 PESTICIDAL COMPOUND MIXTURES COMPRISING ETHIPROLE AND SPECIFIC CARBAMATES BAYER CROPSCIENCE AG (DE) 2009-06-11 — — 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 (2 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-20100099717-A1 SUSPENSION CONCENTRATES FOR IMPROVING THE ROOT ABSORPTION OF AGROCHEMICAL ACTIVE INGREDIENTS CROCC, SLC19A1, ABCB11 GABRB3 3801/4885GABRA2 3954/4885GABRB2 3284/4885
US-20090306147-A1 BIOLOGICAL EFFICACY OF AGROCHEMICAL COMPOSITIONS ON APPLICATION IN THE GROWTH SUBSTRATE SUITABLE FORMULATIONS AND USE THEREOF CYP51A1, CYP21A2, CYP4X1 GABRB3 79/4885GABRA2 221/4885GABRB2 109/4885

“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.

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