SCHEMBL6917549

SCHEMBL6917549

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCCC1C(C)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ECE1 P42892 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TACR1 P25103 4/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.36
ACE P12821 2/20 0.36
DPP3 Q9NY33 2/20 0.36

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 0.92 MEN1 (0.42) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL6807386 0.90 ITGB2 (0.43) ITGB1ITGA4ALDH1A1HSD17B10ACE
SCHEMBL6803199 0.90 ITGB1 (0.40) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL6812605 0.89 ITGB2 (0.40) ITGB1ITGA4ITGB7ALDH1A1HSD17B10
SCHEMBL6808899 0.86 KMT2A (0.41) MEN1KMT2AITGB1ITGA4ECE1
SCHEMBL6802705 0.85 KMT2A (0.42) KMT2AITGB1ITGA4MAPK1
SCHEMBL6808223 0.85 ITGA4 (0.38) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL6801508 0.84 ECE1 (0.38) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL6808082 0.83 ECE1 (0.37) MEN1KMT2AITGB1ITGA4ITGB7
SCHEMBL7538530 0.83 ITGB2 (0.48) MEN1KMT2AITGB1ITGA4ITGB7

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 MEN1 4217/4885KMT2A 3270/4885ITGB1 55/4885

“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.