SCHEMBL220595

SCHEMBL220595

CCNC(=O)Nc1nc2cc(OCc3ccccc3)cc(Br)c2s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ABL1 P00519 12/20 0.50
SCD O00767 1/20 0.48
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL18365219 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1684082 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1684084 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282432 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1281856 0.86 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1284021 0.86 ABL1 (0.51) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282762 0.85 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1282481 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL12997499 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ABL1SCD
SCHEMBL1682895 0.83 ABL1 (0.51) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 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
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO 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
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN 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 (6 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD NPC1 1870/4885RAB9A 945/4885SMN1; SMN2 4614/4885
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-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS NPC1 2454/4885RAB9A 1596/4885SMN1; SMN2 4323/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA NPC1 1397/4885RAB9A 845/4885SMN1; SMN2 4531/4885
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.