SCHEMBL221407

SCHEMBL221407

CCNC(=O)Nc1nc2cc(Br)nc(Br)c2s1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ABL1 P00519 12/20 0.50
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL220904 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL1708588 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL14347170 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL221703 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL221596 0.79 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL13811093 0.79 RAB9A (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL1282237 0.78 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL18365218 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL1282532 0.76 ABL1 (0.51) NPC1RAB9ASMN1; SMN2ABL1PIK3CA
SCHEMBL15260120 0.76 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1PIK3CA

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-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

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 NPC1 1032/4885RAB9A 915/4885SMN1; SMN2 4065/4885
US-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NPC1 2581/4885RAB9A 3590/4885SMN1; SMN2 3141/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS NPC1 3590/4885RAB9A 1924/4885SMN1; SMN2 3380/4885

“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.