SCHEMBL71704

SCHEMBL71704

COc1cc(F)c(C(=O)Nc2ccccc2C#N)cc1OC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.71
PDE1A P54750 1/20 0.71
PDE1B Q01064 1/20 0.71
PDE1C Q14123 1/20 0.71
PDE4D Q08499 7/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
PDE4B Q07343 5/20 0.50
PDE4A P27815 3/20 0.50
PDE4C Q08493 3/20 0.50
GPR6 P46095 4/20 0.46
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL72675 0.88 PDE4D (0.73) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL71328 0.88 PDE4D (0.64) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70567 0.86 PDE4D (0.61) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70311 0.85 PDE4D (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL71442 0.85 PDE4D (0.60) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL71745 0.85 PDE4D (0.69) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL69935 0.85 PDE5A (0.71) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL70906 0.84 PDE4D (0.59) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL71759 0.83 PDE4D (0.58) PDE5APDE1APDE1BPDE1CPDE4D
SCHEMBL69984 0.83 PDE4D (0.72) PDE5APDE1APDE1BPDE1CPDE4D

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 16 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-7045660-B2 Compounds as PDE IV and TNF-inhibitors AVENTIS PHARMA LIMITED (GB) 2006-05-16 US claimed
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors FENTON GARRY (GB) 2003-01-16 US 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-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 PDE5A 9/4885PDE1A 22/4885PDE1B 25/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 25/4885PDE1B 26/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 24/4885PDE1B 27/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 24/4885PDE1B 27/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A PDE5A 9/4885PDE1A 25/4885PDE1B 26/4885

“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.