SCHEMBL4998465

SCHEMBL4998465

[2H]C(CCc1ccc(Oc2nc3ccccc3o2)cc1)NCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.45
KCNH2 Q12809 1/20 0.41
P2RX3 P56373 1/20 0.40
CTSD P07339 1/20 0.37
CNR2 P34972 3/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 4/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2168044 0.78 ATP4A (0.51) LTA4HKCNH2CNR2PPARGPPARD
SCHEMBL22224199 0.76 LTA4H (0.47) LTA4HKCNH2P2RX3CTSDALDH1A1
SCHEMBL14640333 0.76 LTA4H (0.42) LTA4HKCNH2P2RX3CNR2PPARG
SCHEMBL2169362 0.74 LTA4H (0.54) LTA4HKCNH2CTSDCNR2ALDH1A1
SCHEMBL2167933 0.73 ATP4A (0.51) LTA4HKCNH2CNR2PPARGPPARD
SCHEMBL29818654 0.73 LTA4H (0.61) LTA4HKCNH2CTSDCNR2NPC1
SCHEMBL2168408 0.73 LTA4H (0.78) LTA4HKCNH2
SCHEMBL22209070 0.71 MAPT (0.50) LTA4HKCNH2P2RX3CTSDALDH1A1
SCHEMBL14092995 0.71 LTA4H (0.44) LTA4HKCNH2CNR2PPARGPPARD
SCHEMBL6367255 0.70 LTA4H (0.47) LTA4HKCNH2CTSDCNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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 2161/4885P2RX3 454/4885

“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.