SCHEMBL72346

SCHEMBL72346

COC(=O)c1cnc(SC)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
ATM Q13315 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
MAPK1 P28482 3/20 0.44
PSMD14 O00487 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
USP2 O75604 1/20 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
SCHEMBL21081394 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL71914 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL24520499 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL24529610 0.81 MAPK1 (0.47) KDM4EALDH1A1GAAATMHSD17B10
SCHEMBL10297739 0.81 MAPK1 (0.44) KDM4EALDH1A1MAPTATMMAPK1
SCHEMBL41129 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL31705858 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL19029214 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL12488317 0.78 ATM (0.51) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL20594420 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0711282-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-05-15 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO 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 KDM4E 672/4885ALDH1A1 1572/4885HPGD 291/4885
US-20030013713-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KDM4E 645/4885ALDH1A1 1357/4885HPGD 269/4885
US-20100240677-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KDM4E 656/4885ALDH1A1 1364/4885HPGD 275/4885
US-20080132706-A1 Compounds as PDE IV and TNF Inhibitors PDE4A, PDE4B, PDE7A KDM4E 656/4885ALDH1A1 1364/4885HPGD 275/4885
US-20040171618-A1 Compounds as PDE IV and TNF-inhibitors PDE4A, PDE4B, PDE7A KDM4E 645/4885ALDH1A1 1357/4885HPGD 269/4885

“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.