SCHEMBL4148780

SCHEMBL4148780

O=C(N[C@@H](Cc1ccc(C2=CCN(C(=O)c3ccccn3)CC2)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ITGB1 P05556 15/20 0.51
ITGA5 P08648 5/20 0.51
ITGA4 P13612 13/20 0.51
ITGB7 P26010 10/20 0.51
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
NAMPT P43490 1/20 0.49

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
SCHEMBL3829907 0.94 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ITGB1ITGA5ITGA4
SCHEMBL3837320 0.89 NAMPT (0.50) ALDH1A1SMN1; SMN2ITGB1ITGA4ITGB7
SCHEMBL3830610 0.88 ITGA4 (0.51) ITGB1ITGA5ITGA4ITGB7
SCHEMBL3835571 0.87 ITGA4 (0.52) ITGB1ITGA4ITGB7
SCHEMBL3831811 0.87 ITGA4 (0.51) ITGB1ITGA4ITGB7ITGAV
SCHEMBL3821331 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ITGB1ITGA5ITGA4
SCHEMBL3830834 0.85 ITGA4 (0.51) ITGB1ITGA4ITGB7
SCHEMBL3836819 0.85 ITGA4 (0.48) ITGB1ITGA4ITGB7ITGAV
SCHEMBL3833939 0.85 ITGA4 (0.47) ITGB1ITGA5ITGA4ITGB7ITGB3
SCHEMBL3835954 0.85 ITGA4 (0.47) ITGB1ITGA5ITGA4ITGB7ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US claimed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 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-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ALDH1A1 1156/4885SMN1; SMN2 2699/4885ITGB1 2/4885

“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.