SCHEMBL12556286

SCHEMBL12556286

CC(C)(C)OC(=O)C(N)CCCN/C(N)=N\[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ NOS1 P29475 4/20 0.38
▸ DDAH1 O94760 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30

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
SCHEMBL12556165 1.00 MEN1 (0.39) MEN1GAAKMT2AF2NOS1
SCHEMBL12556190 0.88 MEN1 (0.39) MEN1GAAKMT2ANOS1MAOA
L-Name SCHEMBL29362113 0.87 NOS1 (0.41) F2NOS1DDAH1ADAM17DPP7
L-Name SCHEMBL5966636 0.87 NOS1 (0.41) F2NOS1DDAH1ADAM17DPP7
SCHEMBL14350781 0.83 NOS1 (0.40) F2NOS1DDAH1NOS3NOS2
L-Name SCHEMBL6054203 0.82 NOS1 (0.38) F2NOS1DDAH1ADAM17DPP7
Nitroarginine SCHEMBL8527873 0.80 DDAH1 (0.53) MEN1KMT2ANOS1DDAH1NOS3
Nitroarginine SCHEMBL8527851 0.80 DDAH1 (0.53) MEN1KMT2ANOS1DDAH1NOS3
Nitroarginine SCHEMBL14220319 0.80 DDAH1 (0.53) MEN1KMT2ANOS1DDAH1NOS3
Nitroarginine SCHEMBL12556124 0.80 DDAH1 (0.53) MEN1KMT2ANOS1DDAH1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE ANTIBE THERAPEUTICS INC. (CA) 2011-06-16 — — 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-20110144188-A1 SALTS OF TRIMEBUTINE AND N-DESMETHYL TRIMEBUTINE SI, VIP, TRIM59 MEN1 3352/4885GAA 263/4885KMT2A 2505/4885

“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.

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