SCHEMBL4552532

SCHEMBL4552532

Cc1ccc(-c2noc(-c3cccs3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 1.00
RAB9A P51151 15/20 1.00
SMN1; SMN2 Q16637 8/20 1.00
NFKB1 P19838 4/20 1.00
NFKB2 Q00653 4/20 1.00
RELA Q04206 4/20 1.00
MAPK1 P28482 3/20 1.00
ALDH1A1 P00352 3/20 1.00
TP53 P04637 3/20 1.00
LMNA P02545 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
NPSR1 Q6W5P4 1/20 0.72
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA9 Q16790 1/20 0.64
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL15453615 0.88 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2459287 0.85 NPC1 (0.79) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4260303 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13930814 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3262521 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL24871364 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13930779 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13171433 0.84 RAB9A (0.72) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13930793 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12171138 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US claimed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN claimed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP claimed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US claimed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO claimed
US-10827753-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2020-11-10 US disclosed
US-20190343120-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-11-14 US disclosed
US-20190327967-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-10-31 US disclosed
US-10375958-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2019-08-13 US disclosed
US-20190021325-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-01-24 US disclosed
US-10035793-B2 Method for producing 1,2,4-oxadiazole derivative ASAHI GLASS COMPANY, LIMITED (JP) 2018-07-31 US disclosed
US-10035793-B2 Method for producing 1,2,4-oxadiazole derivative ASAHI GLASS COMPANY, LIMITED (JP) 2018-07-31 US disclosed
EP-1618205-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS Cytovia, Inc. (US) 2006-01-25 EP disclosed
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-14 US disclosed
CN-1638776-A Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs CYTOVIA INC (US) 2005-07-13 CN disclosed
US-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis CYTOVIA, INC. 2005-01-06 US disclosed
WO-2004094648-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. ET AL. (US) 2004-11-04 WO disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 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 (9 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-10035793-B2 Method for producing 1,2,4-oxadiazole derivative CBR3, CBR1, HSD3B1 NPC1 1591/4885RAB9A 3787/4885SMN1; SMN2 4774/4885
US-10827753-B2 Compositions and methods for controlling nematodes NOP2, ATL3, CYCS NPC1 2871/4885RAB9A 3412/4885SMN1; SMN2 913/4885
US-20190021325-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS NPC1 2871/4885RAB9A 3412/4885SMN1; SMN2 913/4885
US-20050004005-A1 Methods of treating diseases responsive to Induction of Apoptosis PDCD6IP, THUMPD1, CCAR2 NPC1 4341/4885RAB9A 3925/4885SMN1; SMN2 2624/4885
US-20190343120-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS NPC1 2871/4885RAB9A 3412/4885SMN1; SMN2 913/4885
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 NPC1 3032/4885RAB9A 3776/4885SMN1; SMN2 3205/4885
US-10375958-B2 Compositions and methods for controlling nematodes NOP2, ATL3, CYCS NPC1 2871/4885RAB9A 3412/4885SMN1; SMN2 913/4885
US-20050154012-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP4 NPC1 3327/4885RAB9A 3262/4885SMN1; SMN2 3329/4885
US-20190327967-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS NPC1 2871/4885RAB9A 3412/4885SMN1; SMN2 913/4885

“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.