SCHEMBL160290

SCHEMBL160290

c1csc(N2CCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 3/20 0.51
HPGD P15428 1/20 0.50
GRM5 P41594 1/20 0.46
GRM1 Q13255 1/20 0.46
HSD17B10 Q99714 1/20 0.45
SLC6A7 Q99884 1/20 0.45
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
SCD O00767 1/20 0.43
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
OGA O60502 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL233663 0.98 NPC1 (0.51) NPC1RAB9AMEN1HPGDGRM5
Methane SCHEMBL27085490 0.98 NPC1 (0.51) NPC1RAB9AMEN1HPGDGRM5
SCHEMBL13711959 0.98 NPC1 (0.51) NPC1RAB9AMEN1HPGDGRM5
Bromide SCHEMBL6317924 0.98 NPC1 (0.51) NPC1RAB9AMEN1HPGDGRM5
SCHEMBL15058848 0.95
SCHEMBL29102030 0.91
Formamide SCHEMBL28418050 0.87 ALDH1A1 (0.47) NPC1RAB9AMEN1HPGDGRM5
SCHEMBL25494359 0.86 NPC1 (0.50) NPC1RAB9AMEN1HPGDGRM5
SCHEMBL12744187 0.83 NPC1 (0.48) NPC1RAB9AMEN1HPGDGRM5
SCHEMBL972058 0.83 HTR2C (0.45) NPC1RAB9AMEN1HPGDGRM5

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 157 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US claimed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP claimed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US claimed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US claimed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US claimed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US claimed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO claimed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US claimed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US claimed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 US claimed
CN-1147493-C Oxazolo, thiazolo and selenazolo [4,5-C]-quinolin-4-amines and analoges thereof 3M 2004-04-28 CN claimed
CN-1320126-A Oxazolo, thiazolo and selenazolo [4, 5-C ] quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2001-10-31 CN claimed
US-5364977-A Chemical stabilization and powder processing NIPPON SODA CO., LTD. (JP) 1994-11-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885MEN1 582/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885MEN1 582/4885
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS NPC1 1886/4885RAB9A 1565/4885MEN1 3377/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NPC1 123/4885RAB9A 1445/4885MEN1 582/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPC1 174/4885RAB9A 1917/4885MEN1 473/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS NPC1 1886/4885RAB9A 1565/4885MEN1 3377/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885RAB9A 2215/4885MEN1 3502/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885RAB9A 2215/4885MEN1 3502/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NPC1 174/4885RAB9A 1917/4885MEN1 473/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NPC1 427/4885RAB9A 2215/4885MEN1 3502/4885

“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.