SCHEMBL6803484

SCHEMBL6803484

O=C(Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
FAAH O00519 4/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
PSMB5 P28074 2/20 0.40
TACR2 P21452 2/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
BRS3 P32247 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 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
SCHEMBL6807625 0.93 MEN1 (0.47) POLBFAAHMEN1KMT2ACYP2C9
SCHEMBL6807897 0.91 POLB (0.55) POLBFAAHMEN1KMT2ACYP2C9
SCHEMBL6812952 0.89 ITGB2 (0.41) POLBMEN1KMT2APSMB5ITGB2
SCHEMBL6808434 0.89 ITGB2 (0.41) POLBPSMB5ITGB2ICAM1ITGAL
SCHEMBL6809212 0.89 POLB (0.53) POLBFAAHMEN1KMT2ACYP2C9
SCHEMBL6807444 0.88 ITGB2 (0.42) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6801497 0.87 ITGB2 (0.43) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6803788 0.87 ITGB2 (0.42) ITGB2ICAM1ITGALITGB1ITGA4
SCHEMBL6807166 0.87 POLB (0.42) POLBMEN1KMT2APSMB5ITGB2
SCHEMBL6807498 0.87 ITGB1 (0.39) POLBPSMB5ITGB2ICAM1ITGAL

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 3181/4885FAAH 3330/4885MEN1 4217/4885

“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.