SCHEMBL5261797

SCHEMBL5261797

Clc1[c]ncc2c1OCCO2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL2176989 0.65 LARS1 (0.32) ITGB2ICAM1ITGAL
SCHEMBL578610 0.61 ITGB2 (0.35) ITGB2ICAM1ITGAL
SCHEMBL5263790 0.59 PDCD1 (0.33)
SCHEMBL402881 0.58 ITGB2 (0.32) ITGB2ICAM1ITGAL
SCHEMBL14813340 0.58 ITGB2 (0.32) ITGB2ICAM1ITGAL
SCHEMBL2159810 0.57
SCHEMBL24762447 0.55 BAZ2B (0.44) ITGB2ICAM1ITGAL
SCHEMBL6706298 0.55 AHR (0.48) ITGB2ICAM1ITGAL
SCHEMBL3787577 0.55 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL10436242 0.55 HTR2A (0.39) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP claimed
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US 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-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH ITGB2 4342/4885ICAM1 4728/4885ITGAL 4518/4885

“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.