SCHEMBL9953539

SCHEMBL9953539

Nc1ccc(C(F)(F)C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.43
GCKR Q14397 8/20 0.43
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
PIK3CD O00329 2/20 0.39
NPBWR1 P48145 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL25012091 0.86 GCK (0.40) GCKGCKRNOS3NOS2PIK3CD
SCHEMBL15527999 0.83 GCK (0.43) GCKGCKRNOS3NOS2PIK3CD
SCHEMBL29441491 0.82 KMT2A (0.52) GCKGCKRNOS3NOS2PIK3CD
SCHEMBL177728 0.82 KMT2A (0.52) GCKGCKRNOS3NOS2PIK3CD
Hydrochloric Acid SCHEMBL1865537 0.80 KMT2A (0.50) GCKGCKRNOS3NOS2PIK3CD
Methane SCHEMBL3555245 0.80 KMT2A (0.50) GCKGCKRNOS3NOS2PIK3CD
SCHEMBL16799601 0.79 GCK (0.59) GCKGCKR
SCHEMBL30256450 0.78 GCK (0.47) GCKGCKRNOS3NOS2PIK3CD
SCHEMBL29127263 0.78 GCK (0.47) GCKGCKRNOS3NOS2PIK3CD
SCHEMBL11629001 0.78 PIK3CD (0.42) GCKGCKRNOS3NOS2PIK3CD

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
EP-3070076-B1 AMIDE COMPOUNDS OR SALTS THEREOF, AND THEIR USE AS AGRICULTURAL AND HORTICULTURAL MICROBICIDES NIHON NOHYAKU CO LTD (JP) 2022-01-05 EP disclosed
US-10123537-B2 Amide compound or salt thereof, agricultural and horticultural insecticide and microbicide comprising the compound, and method for using the insecticide and microbicide NIHON NOHYAKU CO., LTD. (JP) 2018-11-13 US disclosed
EP-2881386-B1 AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-03-07 EP disclosed
US-9888686-B2 Amide compound or salt thereof, agricultural and horticultural insecticide and microbicide comprising the compound, and method for using the insecticide and microbicide NIHON NOHYAKU CO., LTD. (JP) 2018-02-13 US disclosed
US-20170332635-A1 AMIDE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE AND MICROBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE AND MICROBICIDE NIHON NOHYAKU CO., LTD. (JP) 2017-11-23 US disclosed
US-20160366884-A1 AMIDE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE AND MICROBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE AND MICROBICIDE NIHON NOHYAKU CO., LTD. (JP) 2016-12-22 US disclosed
EP-3070076-A1 AMIDE COMPOUND OR SALT THEREOF, AGRICULTURAL/HORTICULTURAL INSECTICIDE/BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME Nihon Nohyaku Co., Ltd. (JP) 2016-09-21 EP disclosed
US-9345244-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-05-24 US disclosed
US-9345244-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-05-24 US disclosed
US-9345244-B2 Plant growth regulating compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-05-24 US disclosed
EP-2881386-A1 AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2015-06-10 EP disclosed
US-20150005167-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA LIMITED (GB) 2015-01-01 US disclosed
US-20150005167-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA LIMITED (GB) 2015-01-01 US disclosed
US-20150005167-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA LIMITED (GB) 2015-01-01 US disclosed
EP-2755951-A1 PLANT GROWTH REGULATING COMPOUNDS Syngenta Participations AG (CH) 2014-07-23 EP disclosed
WO-2013164245-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-07 WO disclosed
EP-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2013037755-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-21 WO disclosed
WO-2013037755-A1 PLANT GROWTH REGULATING COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-21 WO disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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 (4 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-20150005167-A1 PLANT GROWTH REGULATING COMPOUNDS OSBPL3, SREBF1, OSBP GCK 2243/4885GCKR 289/4885NOS3 1592/4885
US-20160366884-A1 AMIDE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE AND MICROBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE AND MICROBICIDE MGLL, HDHD5, SLC11A2 GCK 3156/4885GCKR 3091/4885NOS3 94/4885
US-10123537-B2 Amide compound or salt thereof, agricultural and horticultural insecticide and microbicide comprising the compound, and method for using the insecticide and microbicide HDHD5, MGLL, HACL2 GCK 3056/4885GCKR 3070/4885NOS3 108/4885
US-20170332635-A1 AMIDE COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE AND MICROBICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE AND MICROBICIDE HDHD5, MGLL, HACL2 GCK 3056/4885GCKR 3070/4885NOS3 108/4885

“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.