SCHEMBL17804258

SCHEMBL17804258

COc1ccc(-c2ccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)nc2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
APLNR P35414 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
BTK Q06187 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
RIPK2 O43353 1/20 0.31
DRD1 P21728 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
NPBWR1 P48145 1/20 0.30
MCHR1 Q99705 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL17811652 0.92 NR1H4 (0.31) GABRG2GABRB3NR1H4
SCHEMBL17796910 0.91 PDK2 (0.35) NR1H4
SCHEMBL17804244 0.88 BRD9 (0.36) BRD9BRD7KDM4EALDH1A1PKM
SCHEMBL16206001 0.87 KDM4E (0.34) HTR1AHTR7BTKKDM4EALDH1A1
SCHEMBL17804260 0.87 KCNN4 (0.32) HTR7TSHRGABRG2GABRB3
SCHEMBL17815775 0.86 ADORA3 (0.33) BRD9BRD7KDM4EALDH1A1PKM
SCHEMBL16437221 0.83 NR1H4 (0.30) NR1H4
SCHEMBL16206030 0.82 NR1H4 (0.37) ALDH1A1TSHRNR1H4
SCHEMBL17614526 0.80 HSD11B1 (0.32)
SCHEMBL15359625 0.80 NPBWR1 (0.35) NPBWR1MCHR1NR1H4

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 HTR1A 1527/4885HTR7 1374/4885APLNR 3926/4885

“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.