SCHEMBL16628006

SCHEMBL16628006

Cc1cc(-c2cc(C)n(C)n2)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
PTGER1 P34995 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
BRD4 O60885 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16911828 0.92 MRGPRX4 (0.32) MRGPRX4PTGER1BRD4
SCHEMBL16910873 0.92 MRGPRX4 (0.32) MRGPRX4CYP3A4CYP2C9PTGER1CYP1A2
SCHEMBL16911988 0.92 NR1H4 (0.36) MRGPRX4CYP3A4CYP2C9PTGER1CYP2C19
SCHEMBL16920725 0.92 PTGER1 (0.33) MRGPRX4PTGER1
SCHEMBL16911961 0.92 ALDH1A1 (0.34) MRGPRX4CYP1A2CYP2C19BRD4MAPT
SCHEMBL16911927 0.92 PTGER1 (0.38) MRGPRX4CYP3A4CYP2C9PTGER1CYP2C19
SCHEMBL16911932 0.91 MRGPRX4 (0.35) MRGPRX4CYP3A4CYP2C9PTGER1CYP1A2
SCHEMBL16920728 0.90 MRGPRX4 (0.33) MRGPRX4CYP3A4CYP2C9PTGER1
SCHEMBL16911198 0.90 MRGPRX4 (0.32) MRGPRX4CYP3A4CYP2C9
SCHEMBL16911316 0.89 MPO (0.36) MRGPRX4CYP3A4CYP2C9PTGER1CYP1A2

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
EP-2900655-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2015-08-05 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-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 1919/4885CYP3A4 6/4885CYP2C9 26/4885

“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.