SCHEMBL1343518

SCHEMBL1343518

COCCN=C(N)NCC[C@H](N)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN9A Q15858 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
NPY1R P25929 3/20 0.45
PADI4 Q9UM07 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 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
SCHEMBL1344939 0.84 SLC1A3 (0.45) L3MBTL1
SCHEMBL1343516 0.81 CA12 (0.49) CA12CA1CA2CA3CA4
SCHEMBL13482390 0.80 L3MBTL1 (0.50) CA12CA1CA2CA3CA4
SCHEMBL1345153 0.79 DDAH1 (0.52)
SCHEMBL1345053 0.77 FDFT1 (0.42) L3MBTL1
SCHEMBL1345420 0.77 DDAH1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30968896 0.76 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL42109 0.76 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL1694611 0.76 CA12 (0.65) CA12CA1CA2CA3CA4
SCHEMBL42110 0.76 CA12 (0.65) CA12CA1CA2CA3CA4

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 CA12 4097/4885CA1 3544/4885CA2 2170/4885

“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.