SCHEMBL17811646

SCHEMBL17811646

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(F)cc2C#N)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 8/20 0.33
GABRB3 P28472 8/20 0.33
GABRA5 P31644 8/20 0.33
GABRA1 P14867 5/20 0.33
GABRA3 P34903 5/20 0.33
KCNH2 Q12809 3/20 0.33
IL6 P05231 3/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31
AR P10275 1/20 0.31
GRM5 P41594 2/20 0.31
KLKB1 P03952 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 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 0.92 GRM2 (0.32)
SCHEMBL17804247 0.90 KDM5A (0.33) GABRA5
SCHEMBL16437136 0.89 XDH (0.34) EIF4EBP1KLKB1
SCHEMBL17811643 0.85 GABRA5 (0.39) GABRG2GABRB3GABRA5KCNH2GRM5
SCHEMBL17811654 0.84 CA12 (0.33) GABRA5GRM5
SCHEMBL17815558 0.83 F11 (0.35) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL17804254 0.83 PDCD1 (0.34) CYP1A2
SCHEMBL17804248 0.83 CYP11B2 (0.33) GABRA5
SCHEMBL16437306 0.82 KCNN4 (0.39) GRIN1GRIN2B
SCHEMBL17804249 0.81 KDM5A (0.32) GABRA5KCNH2GRIN1GRIN2BGRM5

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 5 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-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
US-20160157489-A1 TETRAZOLINONE COMPOUND AND USE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US 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 GABRG2 1426/4885GABRB3 1733/4885GABRA5 1350/4885

“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.