SCHEMBL220187

SCHEMBL220187

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.66
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
KCNH2 Q12809 1/20 0.53
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL220070 0.90 EPHX1 (0.71) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL220679 0.90 EPHX1 (0.75) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27264913 0.84 EPHX1 (0.66) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14347167 0.84 EPHX1 (0.66) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18342290 0.82 ALDH1A1 (0.72) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18038420 0.81 EPHX1 (0.61) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27264640 0.81 EPHX1 (0.67) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12012124 0.80 EPHX1 (1.00) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL222249 0.79 EPHX1 (0.67) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL879820 0.78 NPC1 (0.65) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2

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 18 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-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
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
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 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-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-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-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
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN 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 EPHX1 3415/4885NPC1 2581/4885RAB9A 3590/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 EPHX1 4226/4885NPC1 3471/4885RAB9A 3588/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 EPHX1 3521/4885NPC1 2378/4885RAB9A 3558/4885

“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.