SCHEMBL6400580

SCHEMBL6400580

O=C(Cn1cc[n+](CC(=O)c2cccc(Cl)c2)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RECQL P46063 1/20 0.62
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PABPC1 P11940 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CXCR3 P49682 2/20 0.39
IDO1 P14902 2/20 0.39
KMO O15229 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
SCHEMBL6404282 1.00 MEN1 (0.62) MEN1KMT2ARECQLCA12CA1
SCHEMBL5722072 0.93 KMT2A (0.71) MEN1KMT2ARECQLMAPTPABPC1
SCHEMBL5722070 0.93 MEN1 (0.63) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399605 0.92 MEN1 (0.74) MEN1KMT2ARECQLCA12CA1
SCHEMBL10087512 0.91 MEN1 (0.61) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399728 0.91 MEN1 (0.61) MEN1KMT2ARECQLCA12CA1
SCHEMBL5722011 0.90 MEN1 (0.58) MEN1KMT2ARECQLCA12CA1
SCHEMBL6404555 0.90 MEN1 (0.58) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399550 0.89 KMT2A (0.78) MEN1KMT2ARECQLMAPTPABPC1
SCHEMBL5721911 0.87 KMT2A (0.60) MEN1KMT2ARECQLMAPTPABPC1

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 MEN1 3721/4885KMT2A 4040/4885RECQL 1290/4885

“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.