SCHEMBL6399732

SCHEMBL6399732

Cc1n(Cc2ccccc2)cc[n+]1CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ KMO O15229 2/20 0.44
▸ HSD11B1 P28845 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MGAM O43451 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ NOTUM Q6P988 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
SCHEMBL20527380 0.87 CA1 (0.50) CA1CA2ALDH1A1NOTUM
SCHEMBL13708463 0.86 CA1 (0.54) CA1CA2ALDH1A1NOTUM
SCHEMBL5722002 0.85 MGAM (0.46) CA1CA2KMOGAAMGAM
SCHEMBL13708506 0.85 CA1 (0.54) CA1CA2ALDH1A1NOTUM
SCHEMBL5722157 0.78 CA1 (0.62) CA1CA2GAAALDH1A1
SCHEMBL13708465 0.74 CA1 (0.53) CA1CA2ALDH1A1NOTUM
SCHEMBL5722036 0.73 MGAM (0.44) CA1CA2KMOGAAMGAM
SCHEMBL1078732 0.71 CA1 (0.74) CA1CA2ALDH1A1NOTUM
SCHEMBL3457639 0.71 CA1 (0.59) CA1CA2ALDH1A1NOTUM
SCHEMBL5722034 0.70 MGAM (0.40) CA1CA2KMOGAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 — — 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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 CA1 2015/4885CA2 976/4885KMO 1224/4885

“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.

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