SCHEMBL3589106

SCHEMBL3589106

COC(=O)CCN1CCCC1COc1ccc(-n2nc3ccccc3c2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.48
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
FAAH O00519 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3589105 1.00 LTA4H (0.48) LTA4HESR2GAARXFP1FAAH
SCHEMBL3589320 0.95 LTA4H (0.50) LTA4HESR2GAAHRH3KCNH2
SCHEMBL3589324 0.95 LTA4H (0.50) LTA4HESR2GAAHRH3KCNH2
SCHEMBL3600750 0.95 LTA4H (0.50) LTA4HESR2GAAHRH3KCNH2
SCHEMBL3597992 0.91 LTA4H (0.44) LTA4HESR2GAARXFP1FAAH
SCHEMBL3597998 0.91 LTA4H (0.44) LTA4HESR2GAARXFP1FAAH
SCHEMBL13436381 0.90 LTA4H (0.61) LTA4HESR2FAAHHRH3KCNH2
Hydrochloric Acid SCHEMBL3592982 0.90 LTA4H (0.60) LTA4HESR2FAAHHRH3KCNH2
Hydrochloric Acid SCHEMBL3592985 0.90 LTA4H (0.60) LTA4HESR2FAAHHRH3KCNH2
SCHEMBL13436382 0.87 LTA4H (0.62) LTA4HESR2GAAHRH3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674802-B2 leukotriene A4 hydrolase inhibitors; biaryl nitrogen-attached heterocycles DECODE GENETICS, EHF (IS) 2010-03-09 US disclosed
US-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-06-21 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-20070142434-A1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S LTA4H 1/4885ESR2 1449/4885GAA 1961/4885

“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.