SCHEMBL5205335

SCHEMBL5205335

O=C(O)C1CC(Oc2ccc(-n3ccnc3)cc2)CN1Cc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 16/20 0.64
MMP1 P03956 2/20 0.41
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL5205686 0.91 NOS2 (0.61) NOS2MMP1
SCHEMBL5203057 0.79 NOS2 (0.90) NOS2MMP1
SCHEMBL5203317 0.79 NOS2 (0.90) NOS2MMP1
SCHEMBL5203041 0.79 NOS2 (0.90) NOS2MMP1
SCHEMBL5202294 0.78 NOS2 (1.00) NOS2HRH3
SCHEMBL5201861 0.78 NOS2 (1.00) NOS2HRH3
SCHEMBL5201831 0.78 NOS2 (1.00) NOS2HRH3
SCHEMBL5206219 0.77 NOS2 (0.95) NOS2HRH3
SCHEMBL5202411 0.73 NOS2 (0.59) NOS2MMP1HPGD
SCHEMBL5201896 0.73 NOS2 (1.00) NOS2

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 13 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
US-6982259-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-01-03 US 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
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 (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-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MMP1 1897/4885HPGD 39/4885
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 NOS2 2/4885MMP1 1684/4885HPGD 30/4885

“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.