SCHEMBL3431014

SCHEMBL3431014

COc1ccc(C=Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.61
CA12 O43570 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
PTGS1 P23219 2/20 0.61
CA1 P00915 1/20 0.61
S100B P04271 1/20 0.60
APP P05067 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL9353952 1.00 PTGS2 (0.61) PTGS2CA12CA2CA9PTGS1
SCHEMBL3431012 1.00 PTGS2 (0.61) PTGS2CA12CA2CA9PTGS1
SCHEMBL9353955 1.00 PTGS2 (0.61) PTGS2CA12CA2CA9PTGS1
SCHEMBL8094327 0.87 CA1 (0.76) PTGS2CA12CA2CA9CA1
SCHEMBL14164182 0.87 CA1 (0.76) PTGS2CA12CA2CA9CA1
SCHEMBL11793523 0.87 PTGS2 (0.52) PTGS2CA12CA2CA9PTGS1
SCHEMBL11793519 0.87 PTGS2 (0.52) PTGS2CA12CA2CA9PTGS1
SCHEMBL9354314 0.84 PTGS2 (0.69) PTGS2CA12CA2CA9CA1
SCHEMBL11753534 0.84 PTGS2 (0.69) PTGS2CA12CA2CA9CA1
SCHEMBL9354323 0.84 PTGS2 (0.69) PTGS2CA12CA2CA9CA1

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-7786103-B2 Method for isolating an intestinal cholesterol binding protein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-31 US disclosed
US-7435727-B2 Method for isolating an intestinal cholesterol binding protein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-14 US disclosed
US-20080167451-A1 METHOD FOR ISOLATING AN INTESTINAL CHOLESTEROL BINDING PROTEIN SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US disclosed
EP-1529061-B1 METHOD FOR ISOLATING AN INTESTINAL CHOLESTEROL BINDING PROTEIN SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-13 EP disclosed
EP-1529061-A1 METHOD FOR ISOLATING AN INTESTINAL CHOLESTEROL BINDING PROTEIN Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
US-20040126812-A1 Method for isolating an intestinal cholesterol binding protein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
WO-2004014947-A1 METHOD FOR ISOLATING AN INTESTINAL CHOLESTEROL BINDING PROTEIN AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 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-20040126812-A1 Method for isolating an intestinal cholesterol binding protein FABP2, CETP, HDLBP PTGS2 4016/4885CA12 3789/4885CA2 2588/4885
US-20080167451-A1 METHOD FOR ISOLATING AN INTESTINAL CHOLESTEROL BINDING PROTEIN FABP2, CETP, HDLBP PTGS2 4289/4885CA12 3835/4885CA2 2873/4885

“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.