SCHEMBL4395142

SCHEMBL4395142

CC(C)(C)OC(=O)N(CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCc1ccc(N=C(N)c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 2/20 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
SCHEMBL4395139 1.00 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL6976561 0.91 NOS1 (0.42) NOS3NOS1NOS2
SCHEMBL6976565 0.91 NOS1 (0.42) NOS3NOS1NOS2
SCHEMBL4478117 0.82 ADRB3 (0.40)
SCHEMBL4398421 0.79 NOS3 (0.60) NOS3NOS1NOS2
SCHEMBL4398437 0.79 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL4398439 0.79 NOS3 (0.40) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL4393258 0.78 NOS3 (0.59) NOS3NOS1NOS2
SCHEMBL4400155 0.77 KCNH2 (0.57)
SCHEMBL4399979 0.77 NOS1 (0.54) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US 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-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 NOS3 100/4885NOS1 247/4885NOS2 70/4885

“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.