SCHEMBL2169604

SCHEMBL2169604

Fc1ccc(C=CCCBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.46
HSD11B1 P28845 1/20 0.42
APP P05067 1/20 0.41
PTGS1 P23219 1/20 0.41
FBP1 P09467 1/20 0.39
DRD2 P14416 2/20 0.38
TNFRSF1A P19438 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38

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
SCHEMBL2169600 1.00 NFE2L2 (0.46) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL4772823 0.88 NFE2L2 (0.43) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL4772837 0.88 NFE2L2 (0.43) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL3899639 0.82 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL2451125 0.82 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL17862090 0.81 NFE2L2 (0.59) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL21411331 0.78 NFE2L2 (0.45) NFE2L2PTGS1FBP1GRIK1GRIK2
SCHEMBL21411330 0.78 NFE2L2 (0.45) NFE2L2PTGS1FBP1GRIK1GRIK2
SCHEMBL8975003 0.78 NFE2L2 (0.46) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL7097687 0.78 HSD11B1 (0.47) NFE2L2HSD11B1APPPTGS1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346835-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2011-07-27 EP disclosed
US-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same BASF SE (DE) 2011-07-21 US disclosed
WO-2010031843-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, THEIR USE AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-03-25 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-20110177950-A1 Imidazole and Triazole Compounds, Their Use and Agents Containing the Same COX4I1, CYP2C19, CYP3A43 NFE2L2 1647/4885HSD11B1 1002/4885APP 3957/4885

“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.