SCHEMBL17804238

SCHEMBL17804238

COc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)nc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.37
BRD7 Q9NPI1 1/20 0.37
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
BRD4 O60885 1/20 0.34
GAA P10253 1/20 0.34
VDR P11473 2/20 0.34
PPARD Q03181 1/20 0.34
DHODH Q02127 1/20 0.34
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
XDH P47989 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MAOB P27338 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
PIK3CA P42336 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
SCHEMBL17804244 0.91 BRD9 (0.36) BRD9BRD7MAPT
SCHEMBL17811641 0.90 BRD9 (0.34) BRD9BRD7MAPTMAOBFFAR1
SCHEMBL16437199 0.89 FFAR1 (0.35) BRD9BRD7FFAR1
SCHEMBL16437138 0.89 ADORA3 (0.37) NR1H4
SCHEMBL17804246 0.88 GABRA5 (0.35) BRD9BRD7GAAMAPTMAOB
SCHEMBL16206006 0.87 SLC16A3 (0.36) SLC16A3SLC16A1BRD4GAAMAPT
SCHEMBL17804259 0.86 BRD9 (0.33) BRD9BRD7FFAR1
SCHEMBL17815558 0.86 F11 (0.35) BRD9BRD7BRD4
SCHEMBL16206146 0.86 SLC22A12 (0.42) SLC16A3SLC16A1BRD4GAAVDR
SCHEMBL17615158 0.86 CLK4 (0.40) MAPTSLC22A12

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 1768/4885SLC16A3 2294/4885

“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.