SCHEMBL220680

SCHEMBL220680

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ACP1 P24666 1/20 0.36
HDAC1 Q13547 1/20 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
SCHEMBL220188 0.90 MEN1 (0.37) MEN1KMT2ATP53LMNAHPGD
SCHEMBL222250 0.85 MEN1 (0.36) MEN1KMT2ATP53HPGDALDH1A1
SCHEMBL14859165 0.84 ALDH1A1 (0.51) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL222509 0.83 NPC1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL220071 0.82 SMN1; SMN2 (0.37) MEN1KMT2ATP53HPGDALDH1A1
SCHEMBL5713541 0.82 THRB (0.51) MEN1KMT2ASMN1; SMN2RAB9AKCNK3
SCHEMBL5713553 0.78 NPC1 (0.62) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL3662242 0.78 HDAC1 (0.46) MEN1KMT2ATP53LMNAHPGD
SCHEMBL5713503 0.78 RAB9A (0.54) MEN1KMT2AHPGDALOX12ALDH1A1
SCHEMBL1192976 0.75 MEN1 (0.40) MEN1KMT2ALMNAHPGDEGFR

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 9 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-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (3 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-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 MEN1 3041/4885KMT2A 4428/4885TP53 4798/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 MEN1 2542/4885KMT2A 3999/4885TP53 4769/4885

“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.