SCHEMBL281767

SCHEMBL281767

CS(=O)(=O)Nc1ccc2c(c1)/C(=N/O)CC1(CCN(CCOCCNCl)CC1)O2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 5/20 0.49
KCNH2 Q12809 1/20 0.48
ADRA1A P35348 4/20 0.45
ADRA1B P35368 3/20 0.45

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
SCHEMBL267719 0.92 ADRA1D (0.50) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL261226 0.90 ADRA1D (0.48) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL261225 0.90 ADRA1D (0.48) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL267691 0.90 ADRA1D (0.51) ADRA1DKCNH2ADRA1AADRA1B
Hydrochloric Acid SCHEMBL261039 0.89 ADRA1D (0.50) ADRA1DKCNH2ADRA1AADRA1B
Hydrochloric Acid SCHEMBL261040 0.89 ADRA1D (0.50) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL280556 0.89 ADRA1D (0.62) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL262259 0.87 ADRA1D (0.46) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL262260 0.87 ADRA1D (0.46) ADRA1DKCNH2ADRA1AADRA1B
SCHEMBL8569890 0.81 ADRA1D (0.61) ADRA1DKCNH2ADRA1AADRA1B

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-20120231541-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2012-09-13 US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 US disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 US disclosed
WO-2009108905-A2 FLUORESCENCE POLARIZATION HERG ASSAY Life Technologies Corporation (US) 2009-09-03 WO 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-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY TNNI3, TNNT2, KCNQ1 ADRA1D 593/4885KCNH2 9/4885ADRA1A 533/4885

“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.