SCHEMBL2739729

SCHEMBL2739729

CCNC(=O)Nc1nc2cc(-c3ccnc(C)c3)cc(-c3ccccn3)c2s1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
WNT3A P56704 1/20 0.42

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
SCHEMBL13269595 0.92 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739672 0.89 NPC1 (0.56) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739710 0.88 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2WNT3A
SCHEMBL2739711 0.88 NPC1 (0.48) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975435 0.86 NPC1 (0.48) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739707 0.86 NPC1 (0.48) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739724 0.86 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL19159716 0.86 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739706 0.86 NPC1 (0.50) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739669 0.85 NPC1 (0.47) ABL1NPC1RAB9ASMN1; 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 12 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-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-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

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 ABL1 847/4885NPC1 2581/4885RAB9A 3590/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ABL1 1039/4885NPC1 3471/4885RAB9A 3588/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABL1 931/4885NPC1 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.