SCHEMBL6945503

SCHEMBL6945503

NC(=O)Cc1ccc(Oc2ccc3c(c2)OCO3)nc1Oc1ccc(-n2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 17/20 0.66
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
NOS1 P29475 1/20 0.37

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
SCHEMBL6946825 0.90 NOS2 (0.64) NOS2MAOAMAOB
SCHEMBL6945384 0.88 NOS2 (0.68) NOS2MAOAMAOBICAM1SELE
SCHEMBL6944294 0.85 NOS2 (0.65) NOS2MAOAMAOBICAM1SELE
SCHEMBL6943651 0.85 NOS2 (0.60) NOS2MAOAMAOB
SCHEMBL6942727 0.84 NOS2 (0.58) NOS2ICAM1SELEVCAM1
SCHEMBL6939863 0.82 NOS2 (0.66) NOS2MAOAMAOB
SCHEMBL6940129 0.82 NOS2 (0.74) NOS2MAOAMAOB
SCHEMBL6942824 0.82 NOS2 (0.74) NOS2MAOAMAOB
SCHEMBL6942766 0.80 NOS2 (0.68) NOS2MAOAMAOB
SCHEMBL6940311 0.80 NOS2 (0.73) NOS2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268471-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AG (DE) 2003-10-15 EP disclosed
US-6525051-B2 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
EP-1268471-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-02 EP disclosed
US-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2002-01-24 US disclosed
WO-2001072744-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-04 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 (1 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-20020010190-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS3, NOS2 NOS2 3/4885MAOA 14/4885MAOB 18/4885

“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.