SCHEMBL4998620

SCHEMBL4998620

Cc1nc(CCCN(CCCc2ccc(Oc3nc4ccccc4s3)cc2)C2CC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.47
KCNH2 Q12809 12/20 0.47
EPHX2 P34913 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
SCHEMBL4998727 0.86 LTA4H (0.49) LTA4HKCNH2EPHX2
SCHEMBL2168841 0.85 LTA4H (0.47) LTA4HKCNH2EPHX2
SCHEMBL4996103 0.85 LTA4H (0.48) LTA4HKCNH2EPHX2
SCHEMBL2169870 0.82 LTA4H (0.47) LTA4HKCNH2EPHX2
SCHEMBL4998617 0.82 LTA4H (0.44) LTA4HKCNH2EPHX2
SCHEMBL2171303 0.80 LTA4H (0.56) LTA4HKCNH2EPHX2
SCHEMBL4693392 0.80 LTA4H (0.53) LTA4HKCNH2EPHX2
SCHEMBL4967382 0.79 LTA4H (0.55) LTA4HKCNH2EPHX2
SCHEMBL2168838 0.79 LTA4H (0.44) LTA4HKCNH2EPHX2
SCHEMBL2169656 0.78 LTA4H (0.53) LTA4HKCNH2EPHX2

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 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 2161/4885EPHX2 191/4885

“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.