SCHEMBL16627171

SCHEMBL16627171

Cc1cc(-c2nn(C)c(C(=O)O)c2C)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.37
PTGER1 P34995 2/20 0.35
NR1H4 Q96RI1 2/20 0.34
RXFP1 Q9HBX9 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
TP53 P04637 1/20 0.33
P2RX3 P56373 1/20 0.32
PSD A5PKW4 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL16627209 0.93 MRGPRX4 (0.34) MRGPRX4PTGER1NR1H4RXFP1SLC22A12
SCHEMBL16912141 0.93 MRGPRX4 (0.34) MRGPRX4PTGER1NR1H4RXFP1SLC22A12
SCHEMBL16920758 0.92 NR1H4 (0.40) MRGPRX4PTGER1NR1H4SLC22A12
SCHEMBL16910996 0.92 MRGPRX4 (0.36) MRGPRX4PTGER1NR1H4RXFP1P2RX3
SCHEMBL16920759 0.92 MRGPRX4 (0.35) MRGPRX4PTGER1NR1H4RXFP1SLC22A12
SCHEMBL16627196 0.92 MRGPRX4 (0.35) MRGPRX4PTGER1RXFP1TP53P2RX3
SCHEMBL16987277 0.89 NR1H4 (0.38) MRGPRX4PTGER1NR1H4RXFP1TP53
SCHEMBL16627180 0.89 MRGPRX4 (0.33) MRGPRX4PTGER1NR1H4RXFP1TP53
SCHEMBL16273684 0.89 MRGPRX4 (0.38) MRGPRX4PTGER1P2RX3PSDHPGD
SCHEMBL16627153 0.88 NR1H4 (0.33) MRGPRX4NR1H4RXFP1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed
EP-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
WO-2015050039-A1 PLANT DISEASE CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2015-04-09 WO disclosed
WO-2015050040-A1 PLANT DISEASE CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2015-04-09 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 (1 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-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, CYP4F11 MRGPRX4 1919/4885PTGER1 2714/4885NR1H4 1326/4885

“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.