SCHEMBL5069308

SCHEMBL5069308

CCOC(=O)CCc1ccc(Cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.48
ITGA4 P13612 10/20 0.48
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.43
LMNA P02545 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5068957 0.86 CYP4F2 (0.44) CYP4F2CYP4A11MAPTALDH1A1RAB9A
SCHEMBL5069303 0.86 ITGB1 (0.51) ITGB1ITGA4CYP4F2CYP4A11
SCHEMBL8345876 0.86 RAB9A (0.43) ITGB1ITGA4MAPTALDH1A1RAB9A
SCHEMBL8345075 0.86 ITGB1 (0.45) ITGB1ITGA4MAPTALDH1A1RAB9A
SCHEMBL5068369 0.85 RAB9A (0.45) CYP4F2CYP4A11MAPTALDH1A1RAB9A
SCHEMBL27614659 0.81 ITGB1 (0.50) ITGB1ITGA4
SCHEMBL14096923 0.81 FNTA (0.42) ITGB1ITGA4MAPTALDH1A1RAB9A
SCHEMBL13991528 0.79 CYP4F2 (0.64) CYP4F2CYP4A11MAPTALDH1A1RAB9A
SCHEMBL5068415 0.77 ITGB1 (0.81) ITGB1ITGA4
SCHEMBL5066936 0.75 ITGB1 (0.52) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
US-20050288337-A1 Novel compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-29 US disclosed
EP-1539696-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2005-06-15 EP disclosed
WO-2004014859-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2004-02-19 WO 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-20050288337-A1 Novel compounds ITGB4, ITGA4, ITGB5 ITGB1 5/4885ITGA4 2/4885CYP4F2 1416/4885

“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.