SCHEMBL96027

SCHEMBL96027

[O]Cc1nnnn1CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
DAGLA Q9Y4D2 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
GLA P06280 1/20 0.43
HSD11B1 P28845 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GHSR Q92847 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
SCHEMBL2097331 0.95 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96779 0.94 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL97020 0.94 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL2090533 0.90 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL3036626 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96028 0.84 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL94949 0.82 DAGLA (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL2090087 0.81 L3MBTL1 (0.47) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL2090084 0.81 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3DAGLAALDH1A1
SCHEMBL96819 0.80 ALDH1A1 (0.57) ALDH1A1TSHRRAB9A

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-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (4 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SLC6A2 4460/4885SLC6A4 4436/4885SLC6A3 4344/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A2 3591/4885SLC6A4 4365/4885SLC6A3 3737/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SLC6A2 4323/4885SLC6A4 3312/4885SLC6A3 3458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SLC6A2 4323/4885SLC6A4 3312/4885SLC6A3 3458/4885

“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.