SCHEMBL6404555

SCHEMBL6404555

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
RECQL P46063 1/20 0.58
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CXCR3 P49682 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 2/20 0.36
KMO O15229 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL5722011 1.00 MEN1 (0.58) MEN1KMT2ARECQLCA12CA1
SCHEMBL5722005 0.91 MEN1 (0.69) MEN1KMT2ARECQLMAPTHPGD
SCHEMBL6400580 0.90 MEN1 (0.62) MEN1KMT2ARECQLCA12CA1
SCHEMBL6404282 0.90 MEN1 (0.62) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399978 0.90 MEN1 (0.62) MEN1KMT2ARECQLMAPTCXCR3
SCHEMBL6398727 0.90 MEN1 (0.62) MEN1KMT2ARECQLMAPTCXCR3
SCHEMBL5722070 0.90 MEN1 (0.63) MEN1KMT2ARECQLCA12CA1
SCHEMBL6399605 0.89 MEN1 (0.74) MEN1KMT2ARECQLCA12CA1
SCHEMBL6401164 0.88 KMT2A (0.76) MEN1KMT2ARECQLMAPTHPGD
SCHEMBL6401168 0.88 KMT2A (0.76) MEN1KMT2ARECQLMAPTHPGD

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.