SCHEMBL21541318

SCHEMBL21541318

CNC(=O)[C@H](CCCCN)NC(=O)CCN=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.43
NMT2 O60551 5/20 0.43
SLC6A5 Q9Y345 1/20 0.40
CTSL P07711 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
FOLH1 Q04609 1/20 0.37
TLR2 O60603 1/20 0.36
ROCK2 O75116 3/20 0.35
PRKACA P17612 1/20 0.35
AKT3 Q9Y243 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL21541131 1.00 NMT1 (0.43) NMT1NMT2SLC6A5CTSLSIRT6
SCHEMBL24297018 0.85 NMT1 (0.49) NMT1NMT2SIRT6SIRT1TLR2
SCHEMBL21541320 0.83 NMT1 (0.50) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL20357606 0.80 SLC6A5 (0.51) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL27345758 0.79 NMT1 (0.47) NMT1NMT2SLC6A5CTSLSIRT6
SCHEMBL23314705 0.79 NMT1 (0.50) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL30634501 0.78 SLC6A5 (0.53) NMT1NMT2SLC6A5FOLH1
SCHEMBL7284768 0.78 SIRT6 (0.46) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL25026533 0.78 NOD1 (0.41) CTSLSIRT6SIRT1ROCK2PRKACA
SCHEMBL21541319 0.78 CA1 (0.44) MMP1MMP3

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-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker INTOCELL INC. (KR) 2021-07-20 US disclosed
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker INTOCELL INC. (KR) 2019-10-31 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 (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-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker DDOST, B3GAT3, GALNT10 NMT1 74/4885NMT2 103/4885SLC6A5 3295/4885
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker DDOST, B3GAT3, GALNT10 NMT1 74/4885NMT2 103/4885SLC6A5 3295/4885

“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.