SCHEMBL5205379

SCHEMBL5205379

O=C(CN(CCOc1ccc(-n2ccnc2)cc1)Cc1ccc2c(c1)OCO2)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS2 P35228 13/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.41

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
SCHEMBL5203119 0.93 NOS2 (0.49) MEN1KMT2ANOS2ALDH1A1TSHR
SCHEMBL5204696 0.85 CYP1A2 (0.46) MEN1KMT2ANOS2SMN1; SMN2
SCHEMBL5201968 0.84 NOS2 (0.53) NOS2TSHR
SCHEMBL5204903 0.82 NOS2 (0.58) NOS2
SCHEMBL5206004 0.81 NOS2 (0.50) NOS2TSHR
SCHEMBL5202231 0.78 NOS2 (0.52) NOS2ALDH1A1TSHRHPGD
SCHEMBL5202697 0.72 NOS2 (0.58) NOS2
SCHEMBL7067249 0.65 NOS2 (0.57) NOS2ALDH1A1
SCHEMBL5190897 0.64 NOS2 (0.61) NOS2
SCHEMBL10511254 0.64 CYP2D6 (0.64) MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202263-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-10 US claimed
EP-1501504-B1 1-SUBSTITUTED IMIDAZOLE DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2007-02-07 EP claimed
US-20060094725-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-04 US claimed
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 US 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 MEN1 1105/4885KMT2A 2581/4885NOS2 2/4885
US-20040023950-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 MEN1 1636/4885KMT2A 2732/4885NOS2 2/4885

“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.