SCHEMBL17600246

SCHEMBL17600246

CCn1nc(-c2ccc(OCc3ccccc3-n3nnn(C)c3=O)c(C)c2)c(C)c1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
PTGER1 P34995 3/20 0.32
P2RX3 P56373 1/20 0.32
PSD A5PKW4 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PLK1 P53350 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL17600083 0.94 MRGPRX4 (0.36) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16273621 0.92 MRGPRX4 (0.33) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16273688 0.92 MRGPRX4 (0.35) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16273618 0.91 PDE4A (0.38) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16910971 0.90 PTGER1 (0.33) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16273684 0.87 MRGPRX4 (0.38) HPGDMRGPRX4CD274PTGER1P2RX3
SCHEMBL16273740 0.86 CD274 (0.33) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16273679 0.85 HPGD (0.36) HPGDMAPTKDM4EMEN1CYP1A2
SCHEMBL16273667 0.85 MRGPRX4 (0.35) HPGDMRGPRX4CD274PTGER1S1PR1
SCHEMBL16273742 0.85 MEN1 (0.33) HPGDMAPTKDM4EMEN1CYP1A2

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 8 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
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 HPGD 4259/4885MAPT 3398/4885KDM4E 2537/4885

“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.