SCHEMBL1046580

SCHEMBL1046580

FC(F)(F)Oc1ccc[c]c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HSD11B1 P28845 1/20 0.33
SCN9A Q15858 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
GAA P10253 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
EPHX2 P34913 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MPL P40238 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL17046317 0.85 KCNH2 (0.32)
SCHEMBL1071313 0.80 CA1 (0.41) KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL160453 0.78 EPHX2 (0.35) KDM4EHSD11B1SCN9AGAARXRA
SCHEMBL622920 0.78 DDB1 (0.34) KDM4EHSD11B1SCN9AGAARXRA
SCHEMBL1065316 0.77 SLC22A12 (0.36)
SCHEMBL695016 0.77 MAPT (0.40) KDM4ESCN9ANPSR1SLC6A2SLC6A4
SCHEMBL591521 0.76 GRIA1 (0.36) KDM4EHSD11B1SCN9AGAARXRA
SCHEMBL457854 0.76 SCN9A (0.32) KDM4EHSD11B1SCN9AGAARXRA
SCHEMBL5126421 0.76 MPL (0.36) KDM4EHSD11B1SCN9AGAARXRA
SCHEMBL1069544 0.76 HSD11B1 (0.36) KDM4EHSD11B1SCN9ASLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 WO disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 WO disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1931425-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-06-18 EP disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
WO-2007043542-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-19 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 2723/4885HSD11B1 312/4885SCN9A 4350/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 KDM4E 2469/4885HSD11B1 1390/4885SCN9A 2376/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 2723/4885HSD11B1 312/4885SCN9A 4350/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 KDM4E 3020/4885HSD11B1 585/4885SCN9A 1631/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 KDM4E 2469/4885HSD11B1 1390/4885SCN9A 2376/4885

“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.