SCHEMBL16437136

SCHEMBL16437136

COc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)nc2C)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.34
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KLKB1 P03952 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CG P48736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EIF4EBP1 Q13541 1/20 0.30
ADORA2A P29274 1/20 0.30
TP53 P04637 1/20 0.30
ACP1 P24666 1/20 0.30
PTPN7 P35236 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 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
SCHEMBL17811645 0.91 GRM2 (0.32)
SCHEMBL17811646 0.89 GABRG2 (0.33) KLKB1EIF4EBP1
SCHEMBL17804247 0.89 KDM5A (0.33) ADORA2A
SCHEMBL16437138 0.88 ADORA3 (0.37) PIK3CDPIK3CGKDM4EADORA2ATP53
SCHEMBL17804238 0.85 BRD9 (0.37) XDHMAPTGAA
SCHEMBL17804244 0.85 BRD9 (0.36) KMT2AKDM4EMAPT
SCHEMBL16442748 0.85 XDH (0.39) XDHPRMT5WDR77
SCHEMBL16437306 0.83 KCNN4 (0.39) XDHKDM4E
SCHEMBL17811654 0.83 CA12 (0.33)
SCHEMBL17815558 0.82 F11 (0.35) KMT2A

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
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
WO-2015016372-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-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR CYP51A1, CYP4F11, CYP1B1 XDH 159/4885KMT2A 2904/4885PRMT5 1573/4885

“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.