SCHEMBL14092995

SCHEMBL14092995

CCCN(CCCc1ccc(Oc2nc3ccccc3o2)cc1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.44
KCNH2 Q12809 1/20 0.42
PPARG P37231 8/20 0.39
PPARA Q07869 7/20 0.39
PPARD Q03181 4/20 0.39
CNR2 P34972 2/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38

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
SCHEMBL2168113 0.88 LTA4H (0.47) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL2169539 0.84 LTA4H (0.46) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL2168044 0.83 ATP4A (0.51) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL2167595 0.82 LTA4H (0.47) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL14640333 0.80 LTA4H (0.42) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL2169011 0.80 LTA4H (0.47) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL2167933 0.78 ATP4A (0.51) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL5001617 0.77 LTA4H (0.43) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL5001614 0.76 LTA4H (0.44) LTA4HKCNH2PPARGPPARAPPARD
SCHEMBL6367255 0.75 LTA4H (0.47) LTA4HKCNH2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885KCNH2 2161/4885PPARG 3005/4885

“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.