SCHEMBL7083034

SCHEMBL7083034

CCOC(=O)C1=Nc2ccc(OC(C)=O)cc2C1=[N+]=[N-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.65
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HSP90AA1 P07900 1/20 0.65
HTT P42858 1/20 0.65
HIF1A Q16665 1/20 0.65
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
FGB P02675 1/20 0.37
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 4/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 2/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5216260 0.88 MAPT (0.67) LMNAMAPTSMN1; SMN2HSP90AA1HTT
SCHEMBL6594697 0.81 MAPT (0.65) LMNAMAPTSMN1; SMN2HSP90AA1HTT
SCHEMBL2806738 0.79 MAPT (1.00) LMNAMAPTSMN1; SMN2HSP90AA1HTT
SCHEMBL2350732 0.79 MAPT (1.00) LMNAMAPTSMN1; SMN2HSP90AA1HTT
Acetic Acid SCHEMBL7467661 0.78 MAPT (0.92) LMNAMAPTSMN1; SMN2HSP90AA1HTT
SCHEMBL28677234 0.66 KDM4E (0.49) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1176935 0.65 CA12 (0.61) LMNASMN1; SMN2HSP90AA1HTTKDM4E
SCHEMBL391347 0.64 KDM4E (0.55) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL9201038 0.63 LMNA (0.57) LMNAMAPTKMT2AMEN1CYP3A4
SCHEMBL5310294 0.63 KDM4E (0.47) LMNASMN1; SMN2KDM4EALDH1A1HPGD

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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1252142-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-10-30 EP disclosed
WO-2001051466-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 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 (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-20030144339-A1 Indole derivatives as mcp-1 receptor antagonists CCR2, CCR1, CCR5 LMNA 4786/4885MAPT 3505/4885SMN1; SMN2 4760/4885

“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.