SCHEMBL97587

SCHEMBL97587

O=COCCCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TEAD3 Q99594 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 1/20 0.42
NAAA Q02083 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNA3 P22001 1/20 0.39
KCNA5 P22460 1/20 0.39
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39

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
SCHEMBL2967379 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1TEAD3HRH4
SCHEMBL97910 0.98 L3MBTL1 (0.50) TSHRL3MBTL1TDP1TEAD3HRH4
SCHEMBL97850 0.96 TSHR (0.50) TSHRL3MBTL1TDP1TEAD3HRH4
SCHEMBL95371 0.89 TSHR (0.54) TSHRL3MBTL1TDP1TEAD3NAAA
SCHEMBL2640223 0.84 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL16342159 0.84 TEAD3 (0.44) TSHRL3MBTL1TDP1TEAD3HRH4
SCHEMBL97490 0.84 TDP1 (0.46) L3MBTL1TDP1HRH3
SCHEMBL5544962 0.84 MEN1 (0.49) L3MBTL1TDP1HRH3SMN1; SMN2
SCHEMBL5541077 0.84 MEN1 (0.41) L3MBTL1TDP1HRH3
SCHEMBL5545719 0.82 TDP1 (0.49) L3MBTL1TDP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP 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
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US 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
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TSHR 319/4885L3MBTL1 1931/4885TDP1 4666/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TSHR 3439/4885L3MBTL1 1099/4885TDP1 3588/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TSHR 110/4885L3MBTL1 262/4885TDP1 4079/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885L3MBTL1 262/4885TDP1 4079/4885

“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.