SCHEMBL3758383

SCHEMBL3758383

NOCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.62
CTNNB1 P35222 1/20 0.62
PTPN7 P35236 1/20 0.59
PTPN12 Q05209 1/20 0.59
PTPN22 Q9Y2R2 1/20 0.59
GAA P10253 1/20 0.53
KMT2A Q03164 4/20 0.53
PKM P14618 1/20 0.53
IDO1 P14902 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
MGLL Q99685 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PTGS2 P35354 1/20 0.47
HGFAC Q04756 1/20 0.47
MAOB P27338 1/20 0.46
AOC3 Q16853 1/20 0.46
CA1 P00915 1/20 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
SCHEMBL2577561 0.86 BCL9 (0.66) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL11605368 0.85 PTPN7 (0.69) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL15708314 0.83 BCL9 (0.62) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL10311842 0.83 BCL9 (0.67) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL4076398 0.83 BCL9 (0.66) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL9967879 0.82 BCL9 (0.70) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL957930 0.82 BCL9 (0.81) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL15708571 0.82 BCL9 (0.65) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL12858126 0.82 BCL9 (0.60) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL13477957 0.82 BCL9 (0.60) BCL9CTNNB1PTPN7PTPN12PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
EP-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 BCL9 990/4885CTNNB1 3625/4885PTPN7 1218/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 BCL9 990/4885CTNNB1 3625/4885PTPN7 1218/4885

“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.