SCHEMBL5722076

SCHEMBL5722076

O=C(Cn1c[n+](CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.52
▸ MGAM O43451 2/20 0.52
▸ AMY1A P0DUB6 2/20 0.52
▸ SI P14410 2/20 0.52
▸ MGAM2 Q2M2H8 2/20 0.52
▸ CXCR3 P49682 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ ATM Q13315 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ AGTR1 P30556 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL5722002 0.72 MGAM (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL30407980 0.70 KMT2A (0.46) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL5722036 0.70 MGAM (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL5154435 0.69 CXCR3 (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL6399605 0.68 MEN1 (0.74) GAAMGAMAMY1ASIMGAM2
SCHEMBL5722034 0.67 MGAM (0.40) GAAMGAMAMY1ASIMGAM2
SCHEMBL5722070 0.67 MEN1 (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL6399732 0.67 CA1 (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL14373497 0.65 CXCR3 (1.00) GAACXCR3KMT2AATMNPC1
SCHEMBL6400580 0.64 MEN1 (0.62) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554253-A4 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-09-20 — — EP disclosed
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 — — US disclosed
EP-1554253-A1 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 — — EP disclosed
WO-2003101970-A1 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 — — 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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 GAA 4786/4885MGAM 4836/4885AMY1A 4686/4885

“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.

Send feedback