SCHEMBL70104

SCHEMBL70104

COc1cnc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.54
PDE4D Q08499 7/20 0.50
PDE4A P27815 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE5A O76074 2/20 0.48
POLB P06746 2/20 0.47
S1PR1 P21453 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
P4HTM Q9NXG6 1/20 0.46
PABPC1 P11940 1/20 0.46
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL70096 0.86 PDE4D (0.55) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL72687 0.85 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL71412 0.85 PDE4D (0.55) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL70483 0.84 PDE4A (0.55) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7334095 0.83 PDE4D (0.72) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL72551 0.82 PDE5A (0.72) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL8188616 0.81 PDE4D (0.63) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL70815 0.81 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL71458 0.79 PDE5A (0.70) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL73768 0.79 PDE5A (0.56) PDE4BPDE4DPDE4APDE4CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US claimed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US claimed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US claimed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US claimed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US claimed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP claimed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP claimed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO claimed
US-8129537-B2 Compounds as PDE IV and TNF inhibitors RHONE-POULENC RORER LIMITED (GB) 2012-03-06 US disclosed
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2010-09-23 US disclosed
US-7652144-B2 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2010-01-26 US disclosed
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors AVENTIS PHARMA LIMITED (GB) 2008-06-05 US disclosed
US-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US disclosed
US-20060084809-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-04-20 US disclosed
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2004-09-02 US disclosed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US disclosed
US-6472412-B1 Compounds as PDE IV and TNF inhibitors AVENTIS PHARMA LIMITED (GB) 2002-10-29 US disclosed
EP-0711282-B1 COMPOUNDS AS PDE IV AND TNF INHIBITORS AVENTIS PHARMA LTD (GB) 2002-06-05 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995004045-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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 (5 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-20060084809-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 6/4885PDE4A 1/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4D 7/4885PDE4A 1/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4D 7/4885PDE4A 1/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4D 7/4885PDE4A 1/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE4B 2/4885PDE4D 7/4885PDE4A 1/4885

“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.