SCHEMBL1344938

SCHEMBL1344938

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.43
LTA4H P09960 2/20 0.42
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 1/20 0.40
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40

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
SCHEMBL1343516 0.83 CA12 (0.49) L3MBTL1HPGDANPEPRNPEPDNPEP
SCHEMBL1344939 0.81 SLC1A3 (0.45) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1345418 0.80 HPGD (0.35) L3MBTL1HPGDALDH1A1ANPEPRNPEP
SCHEMBL12214736 0.80 DPP8 (0.47) SLC1A3SLC1A1LMNASMN1; SMN2HPGD
SCHEMBL1343485 0.79 HPGD (0.36) HPGDALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1343294 0.78 MARS1 (0.36) HPGDALDH1A1MAPK1DPP7
SCHEMBL28291253 0.78 SLC1A3 (0.50) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1345150 0.78 DDAH1 (0.42) SLC1A3SLC1A1HPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL27452128 0.76 LTA4H (0.56) SLC1A3SLC1A1L3MBTL1LTA4HALDH1A1
Hydrochloric Acid SCHEMBL25224887 0.76 ALDH1A1 (0.53) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1

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 286/4885LMNA 2006/4885

“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.