SCHEMBL222249

SCHEMBL222249

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.67
NPC1 O15118 8/20 0.60
RAB9A P51151 7/20 0.60
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 2/20 0.59
ALOX12 P18054 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 1/20 0.58
KCNH2 Q12809 1/20 0.56

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
SCHEMBL220679 0.85 EPHX1 (0.75) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL902678 0.84 KCNK3 (0.59) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL879820 0.81 NPC1 (0.65) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.81 EPHX1 (1.00) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12012124 0.80 EPHX1 (1.00) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18342290 0.79 ALDH1A1 (0.72) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL220187 0.79 EPHX1 (0.66) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14347167 0.79 EPHX1 (0.66) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27264913 0.79 EPHX1 (0.66) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL220070 0.79 EPHX1 (0.71) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP 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-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO 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-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
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 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
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 (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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS EPHX1 4091/4885NPC1 1032/4885RAB9A 915/4885
US-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 EPHX1 3415/4885NPC1 2581/4885RAB9A 3590/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS EPHX1 3609/4885NPC1 3590/4885RAB9A 1924/4885

“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.