SCHEMBL943947

SCHEMBL943947

Brc1c[c]cc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL11023512 0.83 MEN1 (0.36)
SCHEMBL14813317 0.79 SMN1; SMN2 (0.37)
SCHEMBL943239 0.76 ABCG2 (0.33) ABCG2
SCHEMBL6349570 0.74 NQO2 (0.34) ABCG2
SCHEMBL5462155 0.74 AOC3 (0.36) AOC3ABCG2
SCHEMBL944406 0.74 ABCG2 (0.32) ABCG2
SCHEMBL352094 0.74 ABCG2 (0.32) ABCG2
SCHEMBL688159 0.69 CYP3A4 (0.46)
SCHEMBL20906135 0.68 XDH (0.44) AOC3
SCHEMBL25166428 0.68 MAPT (0.41) AOC3ABCG2

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-8513260-B2 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-20 US disclosed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 EP disclosed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 US disclosed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 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 (2 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-20110021539-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 AOC3 561/4885ABCG2 1777/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 AOC3 561/4885ABCG2 1777/4885

“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.