SCHEMBL5205937

SCHEMBL5205937

COc1ccc(CN2CCCC(Oc3ccc(-n4ccnc4)cc3)C2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.58
MCHR1 Q99705 1/20 0.44
MMP1 P03956 4/20 0.41
ROCK1 Q13464 4/20 0.41
ROCK2 O75116 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KAT2B Q92831 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5202161 0.83 NOS2 (0.70) NOS2MCHR1ROCK1ROCK2KDM4E
SCHEMBL5202294 0.73 NOS2 (1.00) NOS2MCHR1ROCK1ROCK2KDM4E
SCHEMBL5201861 0.73 NOS2 (1.00) NOS2MCHR1ROCK1ROCK2KDM4E
SCHEMBL5201831 0.73 NOS2 (1.00) NOS2MCHR1ROCK1ROCK2KDM4E
SCHEMBL5206219 0.71 NOS2 (0.95) NOS2MCHR1KDM4EHRH3
SCHEMBL807236 0.68 KDM4E (0.68) MAPTKDM4ELMNAALOX15HTT
SCHEMBL5203057 0.67 NOS2 (0.90) NOS2MCHR1MMP1
SCHEMBL5203041 0.67 NOS2 (0.90) NOS2MCHR1MMP1
SCHEMBL5203317 0.67 NOS2 (0.90) NOS2MCHR1MMP1
SCHEMBL5241678 0.66 GPR119 (0.58) NOS2MMP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP claimed
EP-1501504-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-02 EP claimed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US claimed
WO-2003092678-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-13 WO claimed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 US disclosed
EP-1795192-A2 1-Substituted imidazole derivatives as nos inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2007-06-13 EP disclosed
US-7202263-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-10 US disclosed
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP disclosed
US-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
US-6982259-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-01-03 US disclosed
EP-1501504-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
WO-2003092678-A1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-13 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 (3 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 NOS2 1/4885MCHR1 2177/4885MMP1 140/4885
US-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MCHR1 1349/4885MMP1 1897/4885
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MCHR1 1734/4885MMP1 1684/4885

“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.