SCHEMBL5541247

SCHEMBL5541247

[CH2]CCc1cc(-c2ccccc2)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.38
DAO P14920 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 2/20 0.35
AGXT P21549 1/20 0.32
IDH1 O75874 1/20 0.31
CHRNA4 P43681 1/20 0.31
PTGER4 P35408 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
SLC22A3 O75751 1/20 0.30
SLC6A4 P31645 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NOTUM Q6P988 2/20 0.30

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
SCHEMBL5541566 0.89 CTRC (0.36) CTRCDAOCHRM2CHRM4CHRM5
SCHEMBL5535282 0.87 CTRC (0.35) CTRCDAOCHRM2CHRM4CHRM5
SCHEMBL5543970 0.86 ALDH1A1 (0.36) CTRCDAOCHRM2CHRM4CHRM5
SCHEMBL5540951 0.84 CTRC (0.41) CTRCDAOCHRM2CHRM4CHRM5
SCHEMBL5544011 0.81 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL699016 0.76 NOTUM (0.47) CTRCDAOALDH1A1IDH1NPC1
SCHEMBL250008 0.76 NOTUM (0.47) CTRCCHRM2CHRM4CHRM5CHRM1
SCHEMBL13439957 0.76 CTRC (0.41) CTRCCHRM2CHRM4CHRM5CHRM1
SCHEMBL5542932 0.72 MAOB (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL5545899 0.72 ALDH1A1 (0.32) ALDH1A1NPC1RAB9AKDM4EHSD17B10

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 CTRC 3914/4885DAO 1115/4885CHRM2 862/4885

“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.