SCHEMBL17804244

SCHEMBL17804244

COc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)nc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPBWR1 P48145 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CFTR P13569 1/20 0.32
MCHR1 Q99705 1/20 0.32
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31
RIPK2 O43353 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
SCHEMBL17804259 0.92 BRD9 (0.33) BRD9BRD7PKMADORA3
SCHEMBL17815775 0.91 ADORA3 (0.33) BRD9BRD7ALDH1A1HPGDMAPK1
SCHEMBL17804238 0.91 BRD9 (0.37) BRD9BRD7MAPT
SCHEMBL16437199 0.91 FFAR1 (0.35) BRD9BRD7PKM
SCHEMBL17811640 0.90 MAPT (0.34) BRD9BRD7MAPT
SCHEMBL17811643 0.90 GABRA5 (0.39) BRD9BRD7
SCHEMBL16437201 0.89 MEN1 (0.33) BRD9BRD7ALDH1A1HPGDMAPK1
SCHEMBL16437138 0.88 ADORA3 (0.37) KDM4EADORA3MAPK14ADORA1SMN1; SMN2
SCHEMBL17804258 0.88 HTR1A (0.34) BRD9BRD7ALDH1A1KDM4EPKM
SCHEMBL17804248 0.87 CYP11B2 (0.33) BRD9BRD7

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-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed
US-9521848-B2 Tetrazolinone compound and use therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-20 US disclosed
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029035-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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 BRD9 3457/4885BRD7 1768/4885ALDH1A1 811/4885

“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.