SCHEMBL16627211

SCHEMBL16627211

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL16910875 0.93 NR1H4 (0.35) MRGPRX4CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL16911653 0.93 MEN1 (0.32) MRGPRX4CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL16911481 0.92 MEN1 (0.32) MRGPRX4CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL16963981 0.90 NR1H4 (0.33)
SCHEMBL16273616 0.89 PRKDC (0.34) MRGPRX4CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL16627180 0.88 MRGPRX4 (0.33) MRGPRX4CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL16911563 0.88 MAPT (0.33) MRGPRX4CYP1A2CYP3A4CYP2C9MEN1
SCHEMBL16627153 0.87 NR1H4 (0.33) MRGPRX4MAPTTP53RXFP1
SCHEMBL16911033 0.86 MRGPRX4 (0.32) MRGPRX4TP53RXFP1
SCHEMBL16627886 0.86 TP53 (0.34) MRGPRX4MEN1ALDH1A1KMT2ATP53

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 9 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

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 1919/4885CYP1A2 42/4885CYP3A4 6/4885

“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.