SCHEMBL17600283

SCHEMBL17600283

COc1cc(-c2ccc(OCc3ccccc3-n3nnn(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.33
PTGER1 P34995 1/20 0.33
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16273636 0.90 MRGPRX4 (0.34) MRGPRX4PTGER1S1PR1S1PR5MAPT
SCHEMBL16911198 0.88 MRGPRX4 (0.32) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL16273673 0.88 MRGPRX4 (0.35) MRGPRX4PTGER1S1PR1S1PR5MAPT
SCHEMBL16273657 0.87 PTGER1 (0.31) PTGER1
SCHEMBL16273678 0.85 PDE4A (0.32) MRGPRX4PTGER1PDE4APDE4BPDE4C
SCHEMBL16385364 0.85 MRGPRX4 (0.37) MRGPRX4PTGER1S1PR1S1PR5MAPT
SCHEMBL17744706 0.84 MRGPRX4 (0.36) MRGPRX4S1PR1S1PR5MAPTL3MBTL1
SCHEMBL16385577 0.83 P2RX7 (0.36) MRGPRX4S1PR1S1PR5MAPTL3MBTL1
SCHEMBL16385510 0.83 MRGPRX4 (0.36) MRGPRX4S1PR1S1PR5MAPTL3MBTL1
SCHEMBL17788098 0.83 P2RX7 (0.38) MRGPRX4S1PR1S1PR5MAPTL3MBTL1

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
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US 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-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885PTGER1 3611/4885PDE4A 3888/4885

“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.