SCHEMBL222250

SCHEMBL222250

O=C(Nc1cc(Br)nc(Br)c1)N(S)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KDR P35968 1/20 0.34
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL220680 0.85 MEN1 (0.41) MEN1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL14859165 0.81 ALDH1A1 (0.51) MEN1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL220188 0.80 MEN1 (0.37) MEN1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL5713541 0.79 THRB (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL220071 0.79 SMN1; SMN2 (0.37) MEN1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL5713503 0.78 RAB9A (0.54) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL902678 0.77 KCNK3 (0.59) MEN1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL5713553 0.76 NPC1 (0.62) MEN1KMT2ATP53SMN1; SMN2RAB9A
SCHEMBL1192976 0.73 MEN1 (0.40) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL3662242 0.73 HDAC1 (0.46) MEN1KMT2ATP53SMN1; SMN2RAB9A

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
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 US disclosed
WO-2009074810-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD (GB) 2009-06-18 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 (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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 MEN1 2540/4885KMT2A 3959/4885TP53 4751/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS MEN1 1428/4885KMT2A 4551/4885TP53 4791/4885

“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.