SCHEMBL6808532

SCHEMBL6808532

O=C(Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCCCC1C(=O)c1ccccc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
ITGB1 P05556 12/20 0.37
ITGA4 P13612 10/20 0.37
ITGB7 P26010 3/20 0.37
TACR1 P25103 2/20 0.36
POLB P06746 1/20 0.36
ITGAV P06756 2/20 0.35
ITGA5 P08648 2/20 0.34
ITGB3 P05106 1/20 0.34

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
SCHEMBL6807609 0.98 ITGB2 (0.39) ALDH1A1HSD17B10ITGB2ICAM1ITGAL
SCHEMBL6808473 0.91 ITGB2 (0.42) ALDH1A1HSD17B10ITGB2ICAM1ITGAL
SCHEMBL6808563 0.91 ATM (0.39) TACR1POLB
SCHEMBL6803199 0.89 ITGB1 (0.40) ALDH1A1HSD17B10ITGB2ICAM1ITGAL
SCHEMBL6807916 0.89 ITGB2 (0.43) ALDH1A1HSD17B10ITGB2ICAM1ITGAL
SCHEMBL6812605 0.89 ITGB2 (0.40) ALDH1A1HSD17B10ITGB2ICAM1ITGAL
SCHEMBL6812952 0.87 ITGB2 (0.41) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6808926 0.87 MEN1 (0.42) ALDH1A1HSD17B10ITGB1ITGA4ITGB7
SCHEMBL6807444 0.84 ITGB2 (0.42) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6803788 0.83 ITGB2 (0.42) ITGB2ICAM1ITGALITGB1ITGA4

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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ALDH1A1 283/4885HSD17B10 3498/4885ITGB2 59/4885

“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.