SCHEMBL17811643

SCHEMBL17811643

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccc(F)cc2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.39
GABRG2 P18507 11/20 0.39
GABRB3 P28472 11/20 0.39
KCNH2 Q12809 11/20 0.39
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PDE10A Q9Y233 1/20 0.33
BRD9 Q9H8M2 1/20 0.32
BRD7 Q9NPI1 1/20 0.32
GRM5 P41594 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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) GABRA5GABRG2GABRB3KCNH2BRD9
SCHEMBL16437199 0.91 FFAR1 (0.35) GABRA5PDE10ABRD9BRD7GRM5
SCHEMBL17811640 0.91 MAPT (0.34) GABRA5GABRG2GABRB3KCNH2BRD9
SCHEMBL17804244 0.90 BRD9 (0.36) BRD9BRD7
SCHEMBL17804248 0.88 CYP11B2 (0.33) GABRA5BRD9BRD7
SCHEMBL17811641 0.87 BRD9 (0.34) GABRA5BRD9BRD7
SCHEMBL16205991 0.87 GABRA5 (0.35) GABRA5GABRG2GABRB3KCNH2GRM5
SCHEMBL17804254 0.86 PDCD1 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17804246 0.85 GABRA5 (0.35) GABRA5BRD9BRD7GRM5CYP1A2
SCHEMBL17811646 0.85 GABRG2 (0.33) GABRA5GABRG2GABRB3KCNH2PRKAB2

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-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 GABRA5 1350/4885GABRG2 1426/4885GABRB3 1733/4885

“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.