SCHEMBL4745103

SCHEMBL4745103

NCCCC[C@H](NCc1ccccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HRH1 P35367 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
PTPRA P18433 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
CTSK P43235 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL31109684 1.00 TLR2 (0.47) TLR2MMP2MMP9SMN1; SMN2HRH1
SCHEMBL28231017 1.00 TLR2 (0.47) TLR2MMP2MMP9SMN1; SMN2HRH1
SCHEMBL5139242 0.84 PTPRA (0.48) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL27585986 0.82 TLR2 (0.49) TLR2SMN1; SMN2HRH1MEN1KMT2A
SCHEMBL3650068 0.80 TLR2 (0.67) TLR2MMP2MMP9
SCHEMBL28030840 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL1976380 0.80 TLR2 (0.67) TLR2MMP2MMP9
SCHEMBL28030272 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL8484330 0.80 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APOLBLMNA
SCHEMBL6949056 0.79 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APOLBLMNA

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-20080234202-A1 Non-natural amino acids and neurotensin analogues ARGOLYN BIOSCIENCES, INC. 2008-09-25 US disclosed
WO-2008105759-A1 METHODS FOR SYNTHESIS OF MODIFIED PEPTIDES ARGOLYN BIOSCIENCE, INC. (US) 2008-09-04 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 (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-20080234202-A1 Non-natural amino acids and neurotensin analogues NGLY1, NTSR1, NTSR2 TLR2 3104/4885MMP2 3975/4885MMP9 4495/4885

“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.