SCHEMBL6808899

SCHEMBL6808899

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.39
ITGB1 P05556 3/20 0.39
ITGA4 P13612 3/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
P2RY12 Q9H244 1/20 0.38
ECE1 P42892 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL6802705 0.99 KMT2A (0.42) KMT2AGAAITGB1ITGA4MAPT
SCHEMBL6801508 0.93 ECE1 (0.38) KMT2AGAAITGB1ITGA4PKM
SCHEMBL6808867 0.92 KMT2A (0.43) KMT2AITGB1ITGA4MAPTITGB2
SCHEMBL6807848 0.90 TACR1 (0.40) GAAITGB1ITGA4ITGB2ICAM1
SCHEMBL6808312 0.89 HSD17B10 (0.42) KMT2AGAAITGB1ITGA4ECE1
SCHEMBL6803160 0.89 ITGB2 (0.48) ITGB1ITGA4MAPK1ITGB2ICAM1
SCHEMBL6809212 0.88 POLB (0.53) KMT2AGAAECE1MEN1
SCHEMBL7538530 0.88 ITGB2 (0.48) KMT2AGAAITGB1ITGA4MAPT
SCHEMBL6812559 0.88 TACR2 (0.41) KMT2AGAAITGB1ITGA4ITGB2
SCHEMBL6812112 0.88 ITGB2 (0.47) ITGB1ITGA4MAPK1ITGB2ICAM1

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 KMT2A 3270/4885GAA 2094/4885ITGB1 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.