SCHEMBL6399728

SCHEMBL6399728

O=C(Cn1cc[n+](CC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RECQL P46063 1/20 0.61
PABPC1 P11940 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KMO O15229 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
POLB P06746 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
SCHEMBL10087512 1.00 MEN1 (0.61) MEN1KMT2ARECQLPABPC1CA12
SCHEMBL5722070 0.95 MEN1 (0.63) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399605 0.92 MEN1 (0.74) MEN1KMT2ARECQLPABPC1CA12
SCHEMBL6400580 0.91 MEN1 (0.62) MEN1KMT2ARECQLPABPC1CA12
SCHEMBL6404282 0.91 MEN1 (0.62) MEN1KMT2ARECQLPABPC1CA12
Bromide SCHEMBL2532765 0.90 MEN1 (0.74) MEN1KMT2ARECQLPABPC1CA12
SCHEMBL6399149 0.90 MEN1 (0.54) MEN1KMT2ARECQLPABPC1CA12
SCHEMBL6400240 0.86 MEN1 (0.53) MEN1KMT2ARECQLCA12CA1
SCHEMBL6404555 0.85 MEN1 (0.58) MEN1KMT2ARECQLCA12CA1
SCHEMBL5721930 0.85 MEN1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 US disclosed
US-20050245702-A1 Catalysts for olefin polymerization UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2005-11-03 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 (2 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
US-20050245702-A1 Catalysts for olefin polymerization PNMT, PPOX, ETFA MEN1 2590/4885KMT2A 3245/4885RECQL 2846/4885

“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.