SCHEMBL6809309

SCHEMBL6809309

O=C(Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.54
CYP3A4 P08684 9/20 0.54
RAMP1 O60894 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL6803011 0.92 CALCRL (0.52) CALCRLCYP3A4
SCHEMBL6812351 0.92 CALCRL (0.52) CALCRLCYP3A4RAMP1
SCHEMBL6808589 0.90 CALCRL (0.52) CALCRLCYP3A4RAMP1
SCHEMBL6807473 0.88 CALCRL (0.41) CALCRLCYP3A4
SCHEMBL6808776 0.87 CYP3A4 (0.43) CALCRLCYP3A4
SCHEMBL6808434 0.85 ITGB2 (0.41)
SCHEMBL6812952 0.85 ITGB2 (0.41)
SCHEMBL6808861 0.84 CCR2 (0.51) CALCRL
SCHEMBL6807444 0.84 ITGB2 (0.42)
SCHEMBL6803484 0.84 POLB (0.55)

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 CALCRL 1811/4885CYP3A4 3783/4885RAMP1 1956/4885

“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.