SCHEMBL3369991

SCHEMBL3369991

CN(CCOc1ccc(C(=O)O)cc1OCCN(C)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.46
PLA2G4B P0C869 1/20 0.45
MAOB P27338 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TTR P02766 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 1/20 0.41
MAOA P21397 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3370480 0.88 HTT (0.45) HTTALDH1A1PLA2G4BMAOBABCG2
SCHEMBL3370576 0.85 MEN1 (0.48) HTTALDH1A1PLA2G4BMAOBABCG2
SCHEMBL15618793 0.80 ALDH1A1 (0.55) HTTALDH1A1MAOBMAPTPOLB
SCHEMBL15618795 0.78 ALDH1A1 (0.51) HTTALDH1A1MAOB
SCHEMBL14415498 0.76 ALDH1A1 (0.52) HTTALDH1A1MAOBMAPTPOLB
SCHEMBL991790 0.76 ALDH1A1 (0.52) HTTALDH1A1MAOBMAPTPOLB
SCHEMBL2592398 0.76 THRA (0.49) ALDH1A1PLA2G4BPOLB
SCHEMBL10636135 0.74 HTT (0.52) HTTALDH1A1PLA2G4BMAOBTTR
SCHEMBL19358158 0.74 ALDH1A1 (0.52) HTTALDH1A1MAOBPOLBSMN1; SMN2
SCHEMBL13684200 0.73 ALDH1A1 (0.54) HTTALDH1A1MAOBACHEMAPT

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
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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 (2 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 HTT 3665/4885ALDH1A1 3984/4885PLA2G4B 4224/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 HTT 3666/4885ALDH1A1 3237/4885PLA2G4B 4171/4885

“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.