SCHEMBL8977224

SCHEMBL8977224

Cc1cccc(-n2nn[nH]c2=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
HCAR1 Q9BXC0 2/20 0.41
OPRM1 P35372 1/20 0.41
ADRB1 P08588 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
PLK1 P53350 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE9A O76083 1/20 0.36
GBA1 P04062 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAO P14920 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL5906376 0.86 ALDH1A1 (0.44) TDP1HCAR1OPRM1ALDH1A1HTT
SCHEMBL15351539 0.84 HCAR1 (0.44) HCAR1MEN1KMT2ADAO
SCHEMBL8603440 0.84 P2RX7 (0.36) HCAR1ALDH1A1NPSR1DAO
SCHEMBL18546285 0.84 HCAR1 (0.44) TDP1HCAR1DAO
SCHEMBL15351670 0.84 MGLL (0.32) HCAR1ALDH1A1TSHR
SCHEMBL15351683 0.84 ALDH1A1 (0.44) HCAR1NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL18504519 0.84 DAO (0.34) TDP1HCAR1ALDH1A1DAOTSHR
SCHEMBL15351721 0.84 JAK2 (0.36) HCAR1OPRM1
SCHEMBL15352472 0.81 TIPARP (0.41) HCAR1ALDH1A1HTTMEN1KMT2A
SCHEMBL16490930 0.81 KDM4E (0.35) TDP1ALDH1A1HTTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9888688-B2 Tetrazolinone compounds and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-13 US disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9781932-B2 Plant disease control composition and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9781931-B2 Plant disease control composition and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
US-9725423-B2 Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed
US-9655364-B2 Plant disease control composition and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-23 US disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160157488-A1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160150788-A1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-22 US disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 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 (9 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-20160150787-A1 TETRAZOLINONE COMPOUNDS AND APPLICATIONS THEREOF SOD1, UQCRB, MT-CO1 TDP1 3052/4885HCAR1 3933/4885OPRM1 250/4885
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 TDP1 3078/4885HCAR1 2254/4885OPRM1 1226/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 TDP1 3755/4885HCAR1 1701/4885OPRM1 1147/4885
US-20160150788-A1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE TCOF1, TTI1, TCP1 TDP1 3199/4885HCAR1 1831/4885OPRM1 4603/4885
US-20160157488-A1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE TTI1, TTI2, TCOF1 TDP1 2887/4885HCAR1 2195/4885OPRM1 3682/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 TDP1 4060/4885HCAR1 1237/4885OPRM1 1154/4885
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 TDP1 2832/4885HCAR1 714/4885OPRM1 2035/4885
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 TDP1 4075/4885HCAR1 2975/4885OPRM1 1021/4885
US-20150299146-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF RTN3, CYCS, ATL3 TDP1 3788/4885HCAR1 2830/4885OPRM1 2786/4885

“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.