SCHEMBL6801508

SCHEMBL6801508

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCN(C(C)=O)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.38
P2RY12 Q9H244 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ITGB2 P05107 3/20 0.37
ICAM1 P05362 3/20 0.37
ITGAL P20701 3/20 0.37
ITGA4 P13612 2/20 0.36
ITGB7 P26010 1/20 0.36
POLB P06746 3/20 0.36
ITGB1 P05556 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 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
SCHEMBL6808899 0.93 KMT2A (0.41) ECE1P2RY12KMT2AMEN1ITGB2
SCHEMBL6802705 0.93 KMT2A (0.42) KMT2AITGB2ICAM1ITGALITGA4
SCHEMBL6808867 0.92 KMT2A (0.43) ECE1P2RY12KMT2AMEN1ITGB2
SCHEMBL6807096 0.89 ITGB2 (0.46) KMT2AMEN1ITGB2ICAM1ITGAL
SCHEMBL6809212 0.89 POLB (0.53) ECE1KMT2AMEN1POLBGAA
SCHEMBL6801497 0.88 ITGB2 (0.43) ITGB2ICAM1ITGALITGA4ITGB7
SCHEMBL6807848 0.88 TACR1 (0.40) ECE1ITGB2ICAM1ITGALITGA4
SCHEMBL6808312 0.88 HSD17B10 (0.42) ECE1KMT2AMEN1ITGA4POLB
SCHEMBL7538530 0.87 ITGB2 (0.48) KMT2AMEN1ITGB2ICAM1ITGAL
SCHEMBL6804225 0.87 TACR2 (0.50) ECE1P2RY12KMT2AITGB2ICAM1

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 ECE1 592/4885P2RY12 2540/4885KMT2A 3270/4885

“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.