SCHEMBL17804259

SCHEMBL17804259

Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)nc2C)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
KCNH2 Q12809 1/20 0.31
FFAR1 O14842 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
PKM P14618 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
SCHEMBL16437199 0.93 FFAR1 (0.35) BRD9BRD7GABRA5FFAR1PKM
SCHEMBL17811643 0.92 GABRA5 (0.39) BRD9BRD7GABRG2GABRB3GABRA5
SCHEMBL17811640 0.92 MAPT (0.34) BRD9BRD7GABRG2GABRB3GABRA5
SCHEMBL17804244 0.92 BRD9 (0.36) BRD9BRD7ADORA3PKM
SCHEMBL17811641 0.90 BRD9 (0.34) BRD9BRD7GABRA5FFAR1
SCHEMBL17811650 0.90 ADORA3 (0.31) BRD9BRD7GABRG2GABRB3GABRA5
SCHEMBL17804248 0.90 CYP11B2 (0.33) BRD9BRD7GABRA5
SCHEMBL17811664 0.88
SCHEMBL17804254 0.88 PDCD1 (0.34) PKM
SCHEMBL17811652 0.87 NR1H4 (0.31) GABRG2GABRB3GABRA5KCNH2

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
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
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 BRD9 3457/4885BRD7 1768/4885GABRG2 1426/4885

“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.