SCHEMBL975076

SCHEMBL975076

NC1CCCN(c2nccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 0.44
HPGD P15428 1/20 0.44
CAMK1D Q8IU85 1/20 0.43
DOT1L Q8TEK3 1/20 0.42
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
MAP4K4 O95819 2/20 0.40
HSD17B10 Q99714 1/20 0.40
AKT1 P31749 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
DPP4 P27487 1/20 0.39
PRKCQ Q04759 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2861212 0.90 HPGD (0.46) HPGDHSD17B10HRH4NPC1RAB9A
Hydrochloric Acid SCHEMBL974366 0.89 HPGD (0.45) HPGDHSD17B10HRH4NPC1RAB9A
SCHEMBL2857147 0.83 NPC1 (0.41) HPGDHSD17B10DPP4NPC1RAB9A
Hydrochloric Acid SCHEMBL972812 0.81 NPC1 (0.41) HPGDHSD17B10DPP4NPC1RAB9A
SCHEMBL973458 0.81 HPGD (0.47) HPGDPIM1HSD17B10NPC1RAB9A
SCHEMBL20243707 0.80 HPGD (0.51) HPGDHSD17B10NPC1RAB9AL3MBTL1
SCHEMBL972304 0.78 HPGD (0.51) HPGDDOT1LHRH4
Hydrochloric Acid SCHEMBL1058151 0.78 HPGD (0.50) HPGDHSD17B10NPC1RAB9AL3MBTL1
SCHEMBL160290 0.77 NPC1 (0.53) HPGDHSD17B10NPC1RAB9AL3MBTL1
SCHEMBL15058848 0.77

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-113429341-A Novel capsid protein assembly inhibitors 正大天晴药业集团股份有限公司 2021-09-24 CN disclosed
CN-109790123-B Novel capsid protein assembly inhibitors 正大天晴药业集团股份有限公司 2021-06-25 CN disclosed
WO-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-7737159-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US disclosed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US disclosed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 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 (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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PBK 2202/4885HPGD 1746/4885CAMK1D 1402/4885
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS PBK 4328/4885HPGD 741/4885CAMK1D 2937/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PBK 2202/4885HPGD 1746/4885CAMK1D 1402/4885
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 PBK 1752/4885HPGD 724/4885CAMK1D 1661/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS PBK 4328/4885HPGD 741/4885CAMK1D 2937/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PBK 2202/4885HPGD 1746/4885CAMK1D 1402/4885

“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.