SCHEMBL8087729

SCHEMBL8087729

Oc1ccn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.40
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN5A Q14524 1/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 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
SCHEMBL508718 0.81 RXRA (0.44) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19120213 0.80 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL22897584 0.80 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL19121178 0.80 MAPT (0.42) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL31465996 0.80 HTT (0.47) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL27656182 0.78 MARS1 (0.45) L3MBTL1POLBMAPTEPHX2TP53
SCHEMBL8087821 0.77 ABCB11 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL28835086 0.77 UBE2N (0.46) MAPTALDH1A1
SCHEMBL19471078 0.76 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL508640 0.76 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB

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 17 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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3112350-B1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9624177-B2 Method for producing pyrazole compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-18 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20170008853-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-12 US disclosed
EP-3112350-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-01-04 EP disclosed
CN-106061950-A Method for producing pyrazole compound 住友化学株式会社 2016-10-26 CN 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
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-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-0680954-B1 Process of preparation of 1-(Het)aryl-3-hydroxy pyrazoles BASF AG (DE) 2000-11-22 EP disclosed
US-5559244-A Preparation of 1-(het) aryl-3-hydroxypyrazoles BASF AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed
EP-0680954-A2 Process of preparation of 1-(Het)aryl-3-hydroxy pyrazoles BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 EP 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-20170008853-A1 METHOD FOR PRODUCING PYRAZOLE COMPOUND CBR3, POR, CBR1 RXRA 3423/4885GRIN1 3175/4885GRIN2B 3452/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 RXRA 727/4885GRIN1 1714/4885GRIN2B 3056/4885

“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.