SCHEMBL1343529

SCHEMBL1343529

COCCN=C(N)NCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 5/20 0.53
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.41
ADRA1A P35348 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
PRMT1 Q99873 1/20 0.37
EPHX2 P34913 1/20 0.36
PLA2G4A P47712 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1345488 0.80 DDAH1 (0.73) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25366603 0.80 PRMT1 (0.44) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16363209 0.79 DDAH1 (0.76) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1345153 0.76 DDAH1 (0.52) DDAH1TSHRMEN1KMT2A
SCHEMBL1345585 0.75 DDAH1 (0.48) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19933297 0.74 ADRA1A (0.47) TSHRADRA1AKMT2APRMT1EPHX2
SCHEMBL1345473 0.74 DDAH1 (0.44) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1769656 0.73 TSHR (0.63) ALDH1A1TSHRADRA1AMEN1KMT2A
SCHEMBL1345420 0.73 DDAH1 (0.47) DDAH1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17234580 0.72 PRMT1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 DDAH1 1/4885GRIN2D 2900/4885GRIN3B 1503/4885

“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.