SCHEMBL17796909

SCHEMBL17796909

CCc1cccc(-n2nnn(C)c2=O)c1COc1ccc(-c2ccccc2)c(C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.35
GABRA5 P31644 3/20 0.35
PDCD1 Q15116 2/20 0.35
GRM5 P41594 1/20 0.32
FFAR1 O14842 1/20 0.32
PKM P14618 1/20 0.32
PDE10A Q9Y233 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 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
SCHEMBL17811650 0.93 ADORA3 (0.31) GABRA5
SCHEMBL17815775 0.91 ADORA3 (0.33) PKMPDE10ALMNAMAPT
SCHEMBL16437199 0.90 FFAR1 (0.35) CD274GABRA5PDCD1GRM5FFAR1
SCHEMBL17796914 0.89 LMNA (0.38) CD274GABRA5PDCD1GRM5FFAR1
SCHEMBL17811649 0.87 KCNN4 (0.34) MAPT
SCHEMBL17804249 0.86 KDM5A (0.32) GABRA5GRM5
SCHEMBL17796910 0.85 PDK2 (0.35) CD274GABRA5PDCD1GRM5FFAR1
SCHEMBL16437311 0.85 PKM (0.31) PKM
SCHEMBL17804259 0.83 BRD9 (0.33) GABRA5FFAR1PKM
SCHEMBL17811641 0.82 BRD9 (0.34) GABRA5FFAR1MAPT

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 8 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-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
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 CD274 1744/4885GABRA5 1350/4885PDCD1 1907/4885

“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.