SCHEMBL6399149

SCHEMBL6399149

O=C(Cn1cc[n+](CC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RECQL P46063 1/20 0.54
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.39
KMO O15229 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL5722070 0.92 MEN1 (0.63) MEN1KMT2ARECQLCA12CA1
SCHEMBL5722065 0.92 KMT2A (0.63) MEN1KMT2ARECQLMAPTLMNA
SCHEMBL10087512 0.90 MEN1 (0.61) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399728 0.90 MEN1 (0.61) MEN1KMT2ARECQLCA12CA1
SCHEMBL5721911 0.89 KMT2A (0.60) MEN1KMT2ARECQLMAPTLMNA
SCHEMBL6404895 0.89 KMT2A (0.60) MEN1KMT2ARECQLMAPTLMNA
SCHEMBL6404282 0.87 MEN1 (0.62) MEN1KMT2ARECQLCA12CA1
SCHEMBL6400580 0.87 MEN1 (0.62) MEN1KMT2ARECQLCA12CA1
SCHEMBL6404555 0.87 MEN1 (0.58) MEN1KMT2ARECQLCA12CA1
SCHEMBL5722011 0.87 MEN1 (0.58) MEN1KMT2ARECQLCA12CA1

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.