SCHEMBL220070

SCHEMBL220070

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.71
ALDH1A1 P00352 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL220187 0.90 EPHX1 (0.66) EPHX1ALDH1A1NPC1RAB9AHPGD
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.83 EPHX1 (1.00) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL5713540 0.81 EPHX1 (0.71) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL16013535 0.81 EPHX1 (0.75) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL220679 0.81 EPHX1 (0.75) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL10608190 0.81 PLK1 (0.68) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL222249 0.79 EPHX1 (0.67) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL8616503 0.79 EPHX1 (0.83) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL29971986 0.78 RAB9A (0.86) EPHX1ALDH1A1NPC1RAB9AHPGD
SCHEMBL16918559 0.78 RAB9A (0.86) EPHX1ALDH1A1NPC1RAB9AHPGD

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 22 patents — showing the first 20. 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
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-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
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 EPHX1 3415/4885ALDH1A1 2843/4885NPC1 2581/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 EPHX1 4226/4885ALDH1A1 3469/4885NPC1 3471/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 EPHX1 3521/4885ALDH1A1 2924/4885NPC1 2378/4885

“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.