SCHEMBL5541483

SCHEMBL5541483

[c]1csc(-c2cccs2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
LTA4H P09960 3/20 0.38
DPP4 P27487 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 3/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL3545 0.77 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL16291133 0.77 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1MAPTMEN1
Benzene SCHEMBL28420098 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
Bromide SCHEMBL30467088 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL30570956 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
Bromide SCHEMBL29519314 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
Ammonia Solution, Strong SCHEMBL34467257 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
SCHEMBL30398774 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
Benzene SCHEMBL29089513 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1
Fluoride SCHEMBL491501 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1MAPTMEN1

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
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
EP-2945960-A2 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION Cortendo AB (publ) (US) 2015-11-25 EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
WO-2014111815-A2 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION CORTENDO AB (PUBL) (US) 2014-07-24 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 (1 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 L3MBTL1 1931/4885KDM4E 4854/4885ALDH1A1 355/4885

“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.