SCHEMBL6803199

SCHEMBL6803199

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCCCC1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
ITGB7 P26010 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
ECE1 P42892 1/20 0.37
ACE P12821 2/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DPP3 Q9NY33 1/20 0.35
TACR1 P25103 1/20 0.35
CTSK P43235 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6808926 0.98 MEN1 (0.42) ITGB1ITGA4ITGB7ALDH1A1KMT2A
SCHEMBL6808473 0.91 ITGB2 (0.42) ITGB1ITGA4ITGB7ALDH1A1HSD17B10
SCHEMBL6917549 0.90 MEN1 (0.42) ITGB1ITGA4ITGB7ALDH1A1KMT2A
SCHEMBL6808532 0.89 ALDH1A1 (0.40) ITGB1ITGA4ITGB7ALDH1A1HSD17B10
SCHEMBL6807916 0.88 ITGB2 (0.43) ITGB1ITGA4ALDH1A1HSD17B10ACE
SCHEMBL6807609 0.87 ITGB2 (0.39) ITGB1ITGA4ITGB7ALDH1A1HSD17B10
SCHEMBL6808312 0.87 HSD17B10 (0.42) ITGB1ITGA4ALDH1A1KMT2AHSD17B10
SCHEMBL6808899 0.85 KMT2A (0.41) ITGB1ITGA4KMT2AMEN1ECE1
SCHEMBL6808563 0.84 ATM (0.39) KMT2AMEN1ACEATML3MBTL1
SCHEMBL6802705 0.84 KMT2A (0.42) ITGB1ITGA4KMT2AITGB2ICAM1

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 ITGB1 55/4885ITGA4 221/4885ITGB7 122/4885

“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.