SCHEMBL5535510

SCHEMBL5535510

C[C]1Cc2ccc(Cl)cc2S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
HTR2A P28223 5/20 0.35
HTR2C P28335 5/20 0.35
HTR2B P41595 4/20 0.35
METAP1 P53582 1/20 0.35
CYP3A4 P08684 1/20 0.34
PNMT P11086 1/20 0.33
CYP2A6 P11509 1/20 0.33
RAD52 P43351 1/20 0.33
PGR P06401 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL5540893 0.83 HPGD (0.44) HPGDL3MBTL1AHRHTR2AHTR2C
SCHEMBL5537066 0.78 KDM4E (0.46) HPGDMETAP1CYP3A4CYP2A6HSD17B3
SCHEMBL9640822 0.78 HPGD (0.46) HPGDL3MBTL1AHRCMA1HTR2A
SCHEMBL28780269 0.76 HPGD (0.61) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL5546730 0.75 CMA1 (0.36) AHRCMA1HTR2AHTR2CHTR2B
SCHEMBL5542308 0.72 PTPN5 (0.41) HPGDHTR2AHTR2CHTR2BCYP3A4
SCHEMBL16527540 0.71 NOX1 (0.50) HPGDL3MBTL1HTR2CHTR2BMETAP1
SCHEMBL2775436 0.69 ALDH1A1 (0.50) HPGDL3MBTL1HTR2CCYP3A4HTR1A
SCHEMBL4733314 0.67 RAD52 (0.44) HPGDL3MBTL1HTR2AHTR2CHTR2B
SCHEMBL13199308 0.67 KDM4E (0.51) HPGDHTR2AHTR2CMETAP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN 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
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 HPGD 3159/4885L3MBTL1 1931/4885AHR 1471/4885

“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.