SCHEMBL4961940

SCHEMBL4961940

CC(C)(C)OC(=O)N([C@H](C=O)CCCNC(=N)N)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL8740426 1.00 MEN1 (0.35) MEN1GAAKMT2AMAOAMAOB
SCHEMBL12989005 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL8529057 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL8750552 0.83 MEN1 (0.36) MEN1GAAKMT2AMAOAMAOB
SCHEMBL7280716 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL2301202 0.83 MEN1 (0.41) MEN1GAAKMT2AMAOAMAOB
SCHEMBL7357498 0.83 ACHE (0.32)
SCHEMBL7079195 0.82 MEN1 (0.35) MEN1GAAKMT2AMAOAMAOB
SCHEMBL27912989 0.79 MEN1 (0.35) MEN1GAAKMT2AMAOAMAOB
SCHEMBL11019775 0.74 MAPT (0.39) MEN1GAAKMT2A

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
US-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors SILVERMAN RICHARD B (US) 2005-07-21 US disclosed
US-6803486-B2 PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES NORTHWESTERN UNIVERSITY 2004-10-12 US disclosed
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY 2003-06-26 US disclosed
WO-2003000198-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2003-01-03 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-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 MEN1 4059/4885GAA 2689/4885KMT2A 2308/4885
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 MEN1 4059/4885GAA 2689/4885KMT2A 2308/4885

“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.