SCHEMBL978309

SCHEMBL978309

C=CC(CCC)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
PTGS2 P35354 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MGLL Q99685 2/20 0.41
HTR2A P28223 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL28927449 0.82 CA1 (0.42) BCL9CTNNB1PTGS2CA1CA2
SCHEMBL3294113 0.78 ALDH1A1 (0.43) CA1CA2ACHEALDH1A1CYP3A4
SCHEMBL28853177 0.77 BCL9 (0.49) BCL9CTNNB1PTGS2CA1CA2
SCHEMBL18934306 0.75 PTGS2 (0.47) BCL9CTNNB1PTGS2CA1CA2
SCHEMBL655939 0.73 PPARG (0.57) BCL9CTNNB1ALDH1A1MAPTCRHBP
SCHEMBL4755048 0.73 BCL9 (0.46) BCL9CTNNB1PTGS2CA1CA2
SCHEMBL10478404 0.73 CA1 (0.46) PTGS2CA1CA2ALDH1A1CYP3A4
SCHEMBL7339889 0.73 HSPB1 (0.43) BCL9CTNNB1PTGS2CA1CA2
SCHEMBL11307407 0.73 HSD17B10 (0.43) BCL9CTNNB1PTGS2CA1CA2
SCHEMBL13195656 0.73 PTGS2 (0.41) BCL9CTNNB1PTGS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US claimed
EP-2144866-A1 METHOD FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN Finorga (FR) 2010-01-20 EP claimed
WO-2008139056-A1 METHOD FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-11-20 WO claimed
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US disclosed
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US disclosed
US-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN FINORGA 2011-01-13 US disclosed
WO-2008139056-A1 METHOD FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-11-20 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-20110009649-A1 METHOD FOR PREPARING 2-(n-BUTYL)-5-NITROBENZOFURAN CYP8B1, NISCH, CBR3 BCL9 1781/4885CTNNB1 1891/4885PTGS2 1197/4885

“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.