SCHEMBL20995309

SCHEMBL20995309

N[C@@H](CCC(=O)Nc1ccc(Oc2ccc(-n3cccc3)cc2)cc1)C(=O)NCCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 16/20 0.63
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20254737 1.00 LTA4H (0.63) LTA4HCA12CA1CA2CA9
SCHEMBL20254739 1.00 LTA4H (0.63) LTA4HCA12CA1CA2CA9
SCHEMBL20261108 0.82 LTA4H (0.64) LTA4H
SCHEMBL20238663 0.81 LTA4H (0.61) LTA4H
SCHEMBL20238665 0.81 LTA4H (0.61) LTA4H
SCHEMBL20995304 0.78 LTA4H (1.00) LTA4H
SCHEMBL20995305 0.78 LTA4H (1.00) LTA4H
SCHEMBL21026802 0.76 LTA4H (0.80) LTA4H
SCHEMBL20253468 0.76 LTA4H (0.80) LTA4H
SCHEMBL20995300 0.73 LTA4H (0.81) LTA4H

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-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 — — 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-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LTA4H 1/4885CA12 3446/4885CA1 1483/4885

“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.

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