SCHEMBL5546730

SCHEMBL5546730

C[C]1Cc2ccc(Br)cc2S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36
PNMT P11086 7/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
METAP1 P53582 1/20 0.35
TDP2 O95551 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
PGR P06401 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHEK2 O96017 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
LTK P29376 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MINK1 Q8N4C8 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
SCHEMBL5540474 0.83 PNMT (0.36) CMA1AHRPNMTADRA2AADRA2B
SCHEMBL5537066 0.78 KDM4E (0.46) METAP1ALDH1A1HSD17B3TRPA1
SCHEMBL30569555 0.78 CMA1 (0.43) CMA1AHRPNMTMETAP1TDP2
SCHEMBL29070094 0.78 CMA1 (0.43) CMA1AHRPNMTMETAP1TDP2
SCHEMBL27705121 0.76 ALDH1A1 (0.46) CMA1AHRMETAP1HTR2AHTR2C
SCHEMBL5535510 0.75 HPGD (0.40) CMA1AHRPNMTADRA2AADRA2B
SCHEMBL5542308 0.72 PTPN5 (0.41) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL2775436 0.69 ALDH1A1 (0.50) ADRA2AHTR2CALDH1A1
SCHEMBL9006984 0.68 TDP1 (0.43) CMA1AHRPNMTMETAP1TDP2
SCHEMBL11011673 0.68 L3MBTL1 (0.47) PNMTASIC3ALDH1A1HSD17B3TRPA1

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 9 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
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 CMA1 4476/4885AHR 1471/4885PNMT 4701/4885

“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.