SCHEMBL5722036

SCHEMBL5722036

CC(C)c1n(CC(=O)c2ccc(Cl)c(Cl)c2)cc[n+]1CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.44
▸ AMY1A P0DUB6 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ SI P14410 2/20 0.44
▸ MGAM2 Q2M2H8 2/20 0.44
▸ CXCR3 P49682 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ATM Q13315 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL5722034 0.93 MGAM (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL5722002 0.84 MGAM (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL6399732 0.73 CA1 (0.47) MGAMAMY1AGAASIMGAM2
SCHEMBL5722026 0.70 CA12 (0.73) MGAMAMY1AGAASIMGAM2
SCHEMBL5722076 0.70 GAA (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL5722074 0.69 ALPG (0.69) MGAMAMY1AGAASIMGAM2
SCHEMBL5722070 0.69 MEN1 (0.63) MGAMAMY1AGAASIMGAM2
SCHEMBL20527454 0.67 LMNA (0.63) MGAMAMY1AGAASIMGAM2
SCHEMBL20527457 0.67 HPGD (0.45) CXCR3NPC1RAB9AATMMEN1
SCHEMBL23782611 0.66 HPGD (0.55) LMNAHDAC3HDAC4HDAC1HDAC7

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 MGAM 4836/4885AMY1A 4686/4885GAA 4786/4885

“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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