SCHEMBL4863208

SCHEMBL4863208

Cc1nnc(-c2ccc(C)c(Br)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOTUM Q6P988 1/20 0.44
MAPK14 Q16539 7/20 0.44
MAP2K1 Q02750 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
MAPK11 Q15759 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
TSHR P16473 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
SCHEMBL4865403 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL5113396 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL26128233 0.84 LRRK2 (0.45) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL31243652 0.84 LRRK2 (0.45) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL12918687 0.83 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL8229635 0.83 NOTUM (0.46) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL22085182 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL3617076 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL29133006 0.80 KDM4E (0.52) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL30622241 0.80 KDM4E (0.52) NPC1RAB9ASMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020113554-A1 QUINOLINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2020-06-11 WO disclosed
US-7384963-B2 2′-Methyl-5-(1,3,4-oxadiazol-2-yl)1, 1′-biphenyl-4-carboxaide derivatives and their use as p38 kinase GLAXO GROUP LIMITED (GB) 2008-06-10 US disclosed
US-20070112046-A1 2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors GLAXO GROUP LIMITED 2007-05-17 US disclosed
US-7166623-B2 2′-Methyl-5′-(1,3,4-oxadiazol-2-yl)-1,1′-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-20050090491-A1 2'-Methyl-5'-(1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-04-28 US disclosed
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435950-A1 2'-METHYL-5'-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1435949-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032986-A1 2' -METHYL-5-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003032987-A1 2'-METHYL-5'-(1,3,4-OXADIAZOL-2-YL)-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
EP-0533268-B1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LTD (GB) 2001-08-16 EP disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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-20070112046-A1 2'-Methyl-5'-(1,3,4-Oxadiazol-2-yl)-1,1'-Biphenyl-4-Carboxamide Derivatives and Their Use As P38 Kinase Inhibitors MAPK1, MAPK3, MAPKAPK2 NPC1 2207/4885RAB9A 2055/4885SMN1; SMN2 1348/4885
US-20040266839-A1 2'-Methyl-5-(1,3,4-oxadiazol-2-yl)1,1'-biphenyl-4-carboxaide derivatives and their use as p38 kinase inhibitors MAPK1, MAPK3, MAPK6 NPC1 3322/4885RAB9A 1794/4885SMN1; SMN2 3296/4885
US-20050090491-A1 2'-Methyl-5'-(1,3,4-oxadiazol-2-yl)-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GRK4, MAPK4, MAPK1 NPC1 3562/4885RAB9A 3417/4885SMN1; SMN2 2056/4885

“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.