SCHEMBL19426170

SCHEMBL19426170

CNC(=O)C(NO)c1ccc(O)c(O)c1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.49
▸ ADRA2B P18089 2/20 0.49
▸ ADRA2C P18825 2/20 0.49
▸ ADRA1A P35348 2/20 0.49
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ ADRA1B P35368 1/20 0.42
▸ YARS1 P54577 1/20 0.31
▸ MEP1B Q16820 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
SCHEMBL19426105 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL19426175 0.81 FFAR2 (0.34) ADRA2AADRA2BADRA2CADRA1AYARS1
SCHEMBL19426172 0.74 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL19426173 0.70 ADRB1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL15631302 0.68 ADRA1A (0.57) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL19426178 0.68 ADRB2 (0.49) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL27472717 0.66 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL15495182 0.66 GAA (0.48) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL29852847 0.66 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL9768011 0.66 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ADRA2A 2852/4885ADRA2B 3350/4885ADRA2C 2793/4885

“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.

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