SCHEMBL17811652

SCHEMBL17811652

Cc1ccc(-c2ccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)nc2C)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
KCNH2 Q12809 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
SCHEMBL17796910 0.94 PDK2 (0.35) NR1H4GABRA5
SCHEMBL17804258 0.92 HTR1A (0.34) NR1H4GABRG2GABRB3
SCHEMBL17614526 0.88 HSD11B1 (0.32)
SCHEMBL17804259 0.87 BRD9 (0.33) GABRG2GABRB3GABRA5KCNH2
SCHEMBL17811650 0.85 ADORA3 (0.31) GABRG2GABRB3GABRA5KCNH2
SCHEMBL16437221 0.85 NR1H4 (0.30) NR1H4
SCHEMBL17804260 0.85 KCNN4 (0.32) GABRG2GABRB3GABRA5
SCHEMBL17614543 0.81 NR1H4 (0.35) NR1H4
SCHEMBL16205951 0.81 HTR7 (0.34) NR1H4
SCHEMBL16437199 0.81 FFAR1 (0.35) GABRA5

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 2 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-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 NR1H4 1525/4885GABRG2 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.