SCHEMBL5540474

SCHEMBL5540474

C[C]1Cc2cc(Br)ccc2S1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
METAP1 P53582 1/20 0.35
TDP2 O95551 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
SRD5A1 P18405 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
PGR P06401 1/20 0.33
BRD4 O60885 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL28264281 0.85 METAP1 (0.38) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL5546730 0.83 CMA1 (0.36) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL5544641 0.78 KDM4E (0.42) METAP1PARP10PARP11SRD5A1ALDH1A1
SCHEMBL16710755 0.78 METAP1 (0.42) PNMTMETAP1TDP2PARP10PARP11
SCHEMBL30439952 0.76 ALDH1A1 (0.46) METAP1ALDH1A1
SCHEMBL5543938 0.75 DRD2 (0.33) PARP10PGRALDH1A1
SCHEMBL5540893 0.75 HPGD (0.44) PNMTMETAP1SRD5A1AHRMAPK1
SCHEMBL5540047 0.71 PTPN5 (0.44) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL11822533 0.69 PTGS2 (0.39) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL7710559 0.69 BLM (0.68) METAP1TDP2PARP10PARP11ALDH1A1

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 PNMT 4701/4885ADRA2A 746/4885ADRA2B 396/4885

“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.