SCHEMBL3209804

SCHEMBL3209804

CN1C(=O)c2ccccc2C(CC(=O)O)c2ccc(C(=O)NCCCCCNc3nc4ccccc4[nH]3)cc21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.68
ITGAV P06756 18/20 0.68
KCNH2 Q12809 2/20 0.49
ITGA2B P08514 2/20 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
SCHEMBL6702670 0.99 ITGB3 (0.68) ITGB3ITGAVKCNH2ITGA2B
SCHEMBL3232755 0.84 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL6700859 0.84 ITGB3 (0.70) ITGB3ITGAV
SCHEMBL3222279 0.84 ITGB3 (0.69) ITGB3ITGAV
SCHEMBL3221473 0.80 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL3220068 0.75 ITGAV (0.45) ITGB3ITGAVITGA2B
SCHEMBL3228383 0.74 ITGAV (0.46) ITGB3ITGAVITGA2B
SCHEMBL7032628 0.70 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL3220109 0.70 TSHR (0.49) ITGB3ITGAVITGA2B
SCHEMBL6700952 0.69 TSHR (0.52) 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 5/4885KCNH2 1086/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885KCNH2 1162/4885

“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.