SCHEMBL5540418

SCHEMBL5540418

Cc1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
AOC3 Q16853 2/20 0.47
NOTUM Q6P988 1/20 0.46
LMNA P02545 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 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
SCHEMBL8836113 0.83 HDAC1 (0.53) PDE4BHDAC1HDAC8HDAC6NPC1
SCHEMBL6639205 0.80 HDAC1 (0.51) PDE4BHDAC1HDAC8HDAC6NPC1
SCHEMBL5310580 0.80 ACHE (0.56) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL2056286 0.80 PDE4B (0.50) PDE4BHDAC1HDAC8HDAC6NPC1
SCHEMBL3085910 0.80 PDE4B (0.51) PDE4BHDAC1HDAC8HDAC6NPC1
SCHEMBL2056288 0.79 LMNA (0.54) PDE4BNPC1RAB9AAOC3NOTUM
SCHEMBL14051498 0.79 AOC3 (0.47) PDE4BHDAC1HDAC8HDAC6AOC3
SCHEMBL3951956 0.79 ENPP3 (0.53) PDE4BHDAC1HDAC8HDAC6NPC1
SCHEMBL5544899 0.78 PDE4B (0.55) PDE4BNOTUMTP53GAA
SCHEMBL24375506 0.78 TP53 (0.45) NPC1RAB9AAOC3LMNATP53

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
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120322827-A1 COMPOUNDS AND METHODS TEMPERO PHARAMCEUTICALS. INC. 2012-12-20 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-7700637-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BACH ANDREW THOMAS 2009-05-07 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X NOVARTIS AG (CH) 2007-01-04 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 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 (7 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-20090118160-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PPARG, PPARA, PPARD PDE4B 1808/4885HDAC1 296/4885HDAC8 1058/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PDE4B 3738/4885HDAC1 322/4885HDAC8 993/4885
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PDE4B 1848/4885HDAC1 640/4885HDAC8 1583/4885
US-20120322827-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PDE4B 1366/4885HDAC1 1086/4885HDAC8 2221/4885
US-20070004704-A1 Such as 6-Methyl-2-[4-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-benzenesulfonylamino]-benzoic acid which binds Peroxisome Proliferator-Activated Receptors; conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X PPARG, GPR119, PPARA PDE4B 3421/4885HDAC1 504/4885HDAC8 1420/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B PDE4B 1276/4885HDAC1 1440/4885HDAC8 2959/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PDE4B 1848/4885HDAC1 640/4885HDAC8 1583/4885

“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.