SCHEMBL6807897

SCHEMBL6807897

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
FAAH O00519 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGB1 P05556 2/20 0.41
ITGAV P06756 2/20 0.41
ITGA2B P08514 2/20 0.41
ITGA5 P08648 2/20 0.41
ITGB5 P18084 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
TACR2 P21452 2/20 0.40
BRS3 P32247 1/20 0.39

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
SCHEMBL6803484 0.91 POLB (0.55) POLBMEN1KMT2AITGB2ICAM1
SCHEMBL6809212 0.90 POLB (0.53) POLBMEN1KMT2AFAAHCYP2C9
SCHEMBL6807369 0.89 ITGB2 (0.45) POLBITGB2ICAM1ITGALL3MBTL1
SCHEMBL6808063 0.88 ITGB2 (0.45) POLBMEN1KMT2AITGB2ICAM1
SCHEMBL6807096 0.88 ITGB2 (0.46) POLBMEN1KMT2AITGB2ICAM1
SCHEMBL6803160 0.88 ITGB2 (0.48) POLBITGB2ICAM1ITGALL3MBTL1
SCHEMBL6812112 0.87 ITGB2 (0.47) POLBITGB2ICAM1ITGALL3MBTL1
SCHEMBL6807625 0.85 MEN1 (0.47) POLBMEN1KMT2AFAAHCYP2C9
SCHEMBL6807289 0.85 ITGB2 (0.45) POLBMEN1KMT2AITGB2ICAM1
SCHEMBL6808858 0.84 C5AR1 (0.46) POLBITGB2ICAM1ITGALL3MBTL1

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 POLB 3181/4885MEN1 4217/4885KMT2A 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.