SCHEMBL16442901

SCHEMBL16442901

COc1cccc(-n2nnn(C)c2=O)c1COc1ccc(Cc2ccccc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.38
LTA4H P09960 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
MRGPRX4 Q96LA9 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
BRD4 O60885 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
FFAR1 O14842 2/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL17806107 0.91 FFAR4 (0.39) FFAR4SLC22A12MRGPRX4BRD4FFAR1
SCHEMBL17804522 0.87 MRGPRX4 (0.45) MRGPRX4ALDH1A1MAPTHTR1AADRA1A
SCHEMBL16920776 0.86 HTR1A (0.42) MRGPRX4ALDH1A1MAPTHSD17B10HTR1A
SCHEMBL15851069 0.85 ATP4A (0.40) MRGPRX4HTR1AADRA1A
SCHEMBL16442797 0.85 FFAR1 (0.39) FFAR4MAPTBRD4FFAR1
SCHEMBL16442886 0.85 HTT (0.44) MRGPRX4PPARA
SCHEMBL16385570 0.84 MAPT (0.39) ALDH1A1MAPT
SCHEMBL16920777 0.84 NQO2 (0.34) SLC22A12MRGPRX4ALDH1A1MAPTBRD4
SCHEMBL16442846 0.84 TNKS2 (0.38) MRGPRX4ALDH1A1HSD17B10
SCHEMBL16442849 0.83 FFAR4 (0.44) FFAR4SLC22A12MRGPRX4BRD4FFAR1

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 7 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-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
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
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 FFAR4 2605/4885LTA4H 3497/4885SLC22A12 3833/4885

“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.