SCHEMBL5846445

SCHEMBL5846445

O=C(O)CNC(=O)NCCCCNc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.62
ITGAV P06756 17/20 0.62
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ITGA2B P08514 4/20 0.49
ITGB5 P18084 3/20 0.49
ITGB6 P18564 3/20 0.49
ALOX12 P18054 1/20 0.47
ITGB1 P05556 3/20 0.46

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
SCHEMBL5845065 0.97 ITGB3 (0.59) ITGB3ITGAVHTTSMN1; SMN2ITGA2B
SCHEMBL5845136 0.92 ITGB3 (0.55) ITGB3ITGAVHTTSMN1; SMN2ITGA2B
SCHEMBL7168552 0.83 ITGB3 (0.62) ITGB3ITGAVSMN1; SMN2ITGA2BITGB5
SCHEMBL2037116 0.81 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5844128 0.80 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4717622 0.80 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4398060 0.80 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL5846620 0.79 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL4394126 0.79 ITGB3 (0.64) ITGB3ITGAVSMN1; SMN2ITGA2BITGB5
SCHEMBL5843924 0.79 ITGAV (0.82) ITGB3ITGAVITGA2BITGB5ITGB6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135587-B2 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2006-11-14 US disclosed
EP-1343764-B1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2004-08-25 EP disclosed
US-20040063644-A1 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1343764-A1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2003-09-17 EP disclosed
WO-2002050039-A1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2002-06-27 WO 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-20040063644-A1 Urea and urethane derivatives as integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 7/4885ITGAV 16/4885HTT 4804/4885

“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.