SCHEMBL16273688

SCHEMBL16273688

Cc1cc(-c2nn(C)c(C(N)=O)c2C)ccc1OCc1ccccc1-n1nnn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.35
CD274 Q9NZQ7 5/20 0.34
HPGD P15428 3/20 0.33
PLK1 P53350 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PTGER1 P34995 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 1/20 0.32
P2RX3 P56373 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
SCHEMBL16273684 0.93 MRGPRX4 (0.38) MRGPRX4CD274HPGDS1PR1S1PR5
SCHEMBL17600246 0.92 HPGD (0.33) MRGPRX4CD274HPGDPLK1KDM4E
SCHEMBL16273667 0.91 MRGPRX4 (0.35) MRGPRX4CD274HPGDS1PR1S1PR5
SCHEMBL16911086 0.90 MRGPRX4 (0.33) MRGPRX4CD274HPGDKDM4EMEN1
SCHEMBL16273679 0.90 HPGD (0.36) MRGPRX4CD274HPGDKDM4EMEN1
SCHEMBL16912141 0.89 MRGPRX4 (0.34) MRGPRX4HPGDKDM4EMEN1CYP1A2
SCHEMBL19987549 0.88 HPGD (0.35) MRGPRX4CD274HPGDKDM4EMEN1
SCHEMBL16911643 0.87 NR1H4 (0.38) MRGPRX4MAPTRXFP1S1PR5PTGER1
SCHEMBL17600083 0.86 MRGPRX4 (0.36) MRGPRX4CD274HPGDKDM4EMEN1
SCHEMBL16273621 0.85 MRGPRX4 (0.33) MRGPRX4CD274HPGDKDM4EMEN1

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 11 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
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
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 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-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885CD274 2810/4885HPGD 4259/4885

“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.