SCHEMBL4997974

SCHEMBL4997974

CN(CCCO)C1(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 18/20 0.49
KCNH2 Q12809 8/20 0.49
EPHX2 P34913 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL4998442 0.94 LTA4H (0.51) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4998706 0.90 LTA4H (0.49) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL5004219 0.90 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4996054 0.89 SMN1; SMN2 (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4998109 0.89 LTA4H (0.51) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4998072 0.88 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4994303 0.86 LTA4H (0.44) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4998726 0.86 LTA4H (0.45) LTA4HKCNH2EPHX2PPARGPPARA
SCHEMBL4998617 0.84 LTA4H (0.44) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL4996090 0.84 LTA4H (0.44) 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.