SCHEMBL17804248

SCHEMBL17804248

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.33
GABRA5 P31644 2/20 0.32
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 1/20 0.31
KDM1A O60341 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL17815558 0.91 F11 (0.35) GABRA5BRD9BRD7
SCHEMBL17804259 0.90 BRD9 (0.33) GABRA5BRD9BRD7
SCHEMBL16437199 0.89 FFAR1 (0.35) GABRA5BRD9BRD7
SCHEMBL17811643 0.88 GABRA5 (0.39) GABRA5BRD9BRD7
SCHEMBL17811640 0.88 MAPT (0.34) GABRA5BRD9BRD7
SCHEMBL16206097 0.87 GRM2 (0.35) GABRA5
SCHEMBL17804244 0.87 BRD9 (0.36) BRD9BRD7
SCHEMBL17804247 0.86 KDM5A (0.33) GABRA5
SCHEMBL17811641 0.84 BRD9 (0.34) GABRA5BRD9BRD7
SCHEMBL17811645 0.84 GRM2 (0.32) KDM4C

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 CYP11B2 83/4885GABRA5 1350/4885BRD9 3457/4885

“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.