SCHEMBL836044

SCHEMBL836044

COC(=O)[C@@H](N)CCNC(=N)N[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NOS1 P29475 1/20 0.34
NPC1 O15118 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 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
L-Name SCHEMBL14751988 0.92 NOS1 (0.41) ALDH1A1NOS1
L-Name SCHEMBL3034749 0.92 NOS1 (0.41) ALDH1A1NOS1
L-Name SCHEMBL25310005 0.90 NOS1 (0.40) ALDH1A1NOS1
L-Name SCHEMBL18812631 0.90 NOS1 (0.40) ALDH1A1NOS1
SCHEMBL12556180 0.79 MEN1 (0.39) NOS1GAA
SCHEMBL1345418 0.77 HPGD (0.35) ALDH1A1GAA
SCHEMBL18671768 0.76 NOS1 (0.30) NOS1
SCHEMBL14939228 0.76 NPY4R (0.37) NOS1
SCHEMBL14608724 0.75 NOS1 (0.34) NOS1
SCHEMBL5712242 0.75 MEN1 (0.36) NOS1GAA

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-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS ALDH1A1 36/4885NOS1 159/4885NPC1 4202/4885

“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.