SCHEMBL220667

SCHEMBL220667

CCNC(=O)Nc1nc2cc(OCc3ccccc3)cc(-c3ccc(C#N)cn3)c2s1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 1/20 0.42
ABL1 P00519 8/20 0.42
SCD O00767 1/20 0.41

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
SCHEMBL1282481 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL221631 0.85 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GSK3BABL1
SCHEMBL220913 0.85 GSK3B (0.40) NPC1RAB9ASMN1; SMN2GSK3BABL1
SCHEMBL2739674 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GSK3BABL1
SCHEMBL1282762 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GSK3BABL1
SCHEMBL222305 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1684084 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL18365219 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL222097 0.79
SCHEMBL1684082 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD

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 17 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
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 NPC1 2581/4885RAB9A 3590/4885SMN1; SMN2 3141/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NPC1 3471/4885RAB9A 3588/4885SMN1; SMN2 3693/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NPC1 2378/4885RAB9A 3558/4885SMN1; SMN2 3013/4885

“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.