SCHEMBL3558024

SCHEMBL3558024

CNC(=O)C1CCN(C(=O)O)C1c1cc(C)nc(-n2ccnc2)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 16/20 0.43
NOS1 P29475 4/20 0.43
CD38 P28907 3/20 0.38
USP2 O75604 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5229024 0.90 NOS2 (0.44) NOS2NOS1CD38USP2
SCHEMBL3566417 0.87 NOS2 (0.42) NOS2NOS1CD38USP2RXFP1
SCHEMBL27691987 0.85 NOS2 (0.44) NOS2NOS1CD38
SCHEMBL3558453 0.79 NOS2 (0.43) NOS2NOS1CD38USP2
SCHEMBL3566689 0.79 NOS2 (0.43) NOS2NOS1CD38
SCHEMBL5320270 0.78 NOS2 (0.40) NOS2NOS1CD38
SCHEMBL3566595 0.77 NOS2 (0.59) NOS2NOS1CD38USP2
SCHEMBL27712178 0.76 NOS2 (0.43) NOS2NOS1CD38
SCHEMBL3564331 0.76 NOS2 (0.41) NOS2NOS1
SCHEMBL3564512 0.74 NOS2 (0.40) NOS2NOS1

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885CD38 3165/4885

“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.