SCHEMBL220188

SCHEMBL220188

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPT P10636 2/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSPD1 P10809 1/20 0.33
HSPE1 P61604 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 0.90 MEN1 (0.41) MEN1KMT2ATP53LMNAHPGD
SCHEMBL220071 0.90 SMN1; SMN2 (0.37) MEN1KMT2ATP53HPGDMAPT
SCHEMBL222250 0.80 MEN1 (0.36) MEN1KMT2ATP53HPGDMAPT
SCHEMBL14859165 0.78 ALDH1A1 (0.51) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL222509 0.77 NPC1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL5713541 0.76 THRB (0.51) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL10608197 0.76 RAB9A (0.36) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3662242 0.73 HDAC1 (0.46) MEN1KMT2ATP53LMNAHPGD
SCHEMBL5713553 0.73 NPC1 (0.62) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL5713503 0.72 RAB9A (0.54) MEN1KMT2AHPGDALOX12MAPT

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.