SCHEMBL17796266

SCHEMBL17796266

COc1cccc(-n2nnn(C)c2=O)c1COc1ccccc1Oc1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
AR P10275 1/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 2/20 0.33
BCAT1 P54687 2/20 0.33
NPC1 O15118 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL16920777 0.86 NQO2 (0.34) SMN1; SMN2L3MBTL1HTR1AADRA1DADRA1A
SCHEMBL18022751 0.85 NTRK1 (0.38) SMN1; SMN2ARMEN1KMT2A
SCHEMBL16205959 0.85 MRGPRX4 (0.36) SMN1; SMN2RAB9ANPC1MRGPRX4ALDH1A1
SCHEMBL16206142 0.84 PTGER1 (0.39)
SCHEMBL16920776 0.84 HTR1A (0.42) SMN1; SMN2L3MBTL1HTR1AADRA1AHTR2A
SCHEMBL16442860 0.83 KMT2A (0.38) SMN1; SMN2L3MBTL1HTR1AADRA1AHTR2A
SCHEMBL16442797 0.83 FFAR1 (0.39) MEN1KMT2A
SCHEMBL16920782 0.83 BDKRB2 (0.34) SMN1; SMN2L3MBTL1RAB9AMRGPRX4GAA
SCHEMBL15851069 0.83 ATP4A (0.40) HTR1AADRA1AHTR2AHTR7RAB9A
SCHEMBL17804522 0.83 MRGPRX4 (0.45) SMN1; SMN2HTR1AADRA1AHTR2AHTR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 SMN1; SMN2 3877/4885L3MBTL1 170/4885HTR1A 1367/4885

“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.