SCHEMBL3225513

SCHEMBL3225513

CN1C(=O)c2ccccc2C(CC(=O)O)c2ccc(OCCCCNc3cccc[n+]3[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.41
ITGAV P06756 18/20 0.41
ITGA2B P08514 2/20 0.35
ITGB1 P05556 1/20 0.33
ITGB5 P18084 1/20 0.33

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
SCHEMBL3230635 0.81 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6700330 0.77 CDC25A (0.37)
SCHEMBL3223094 0.72 ITGB3 (0.42) ITGB3ITGAV
SCHEMBL6784359 0.71 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6423446 0.69 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7172734 0.68 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7171868 0.68 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419206 0.68 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7449605 0.68 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3221473 0.68 ITGB3 (0.65) ITGB3ITGAVITGA2B

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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 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 (2 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 ITGB3 1/4885ITGAV 5/4885ITGA2B 11/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885ITGA2B 3/4885

“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.