SCHEMBL1344939

SCHEMBL1344939

COCCN=C(N)NCC[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
LTA4H P09960 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KLK8 O60259 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39
KLK4 Q9Y5K2 1/20 0.39
DDAH1 O94760 2/20 0.38
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SCN5A Q14524 1/20 0.38

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
SCHEMBL1345053 0.89 FDFT1 (0.42) LTA4HLMNAL3MBTL1
SCHEMBL1344678 0.89 SCNN1A (0.43) LMNASMN1; SMN2DDAH1SCN5ASCN2A
SCHEMBL1344948 0.89 POLB (0.45) SLC1A3SLC1A1DDAH1SCN5ASCN2A
SCHEMBL1345511 0.88 KDM4E (0.39) SMN1; SMN2
SCHEMBL1345099 0.85 PRKCA (0.41) L3MBTL1
SCHEMBL1342933 0.85 ADRB2 (0.42) SMN1; SMN2DPP7
SCHEMBL1343518 0.84 CA12 (0.46) L3MBTL1
SCHEMBL1345420 0.82 DDAH1 (0.47) DDAH1
SCHEMBL1345111 0.81 CTSD (0.39) DDAH1
SCHEMBL1343488 0.81 DDAH1 (0.43) DDAH1SCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 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-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 SLC1A3 497/4885SLC1A1 286/4885LTA4H 752/4885

“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.