SCHEMBL5540951

SCHEMBL5540951

[CH2]Cc1cc(-c2ccccc2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
IDH1 O75874 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA4 P43681 1/20 0.32
PTGER4 P35408 1/20 0.32
DAO P14920 1/20 0.32
NOTUM Q6P988 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL27535005 0.85 CTRC (0.33) CTRC
SCHEMBL5541247 0.84 CTRC (0.38) CTRCALDH1A1CHRM2CHRM4CHRM5
SCHEMBL5535282 0.80 CTRC (0.35) CTRCALDH1A1CHRM2CHRM4CHRM5
SCHEMBL5544052 0.80 TAAR1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL250008 0.79 NOTUM (0.47) CTRCALDH1A1CHRM2CHRM4CHRM5
SCHEMBL699016 0.79 NOTUM (0.47) CTRCALDH1A1IDH1NPC1RAB9A
SCHEMBL13439957 0.79 CTRC (0.41) CTRCALDH1A1CHRM2CHRM4CHRM5
SCHEMBL5543970 0.78 ALDH1A1 (0.36) CTRCALDH1A1CHRM2CHRM4CHRM5
SCHEMBL27554733 0.74 DAO (0.35) CTRCALDH1A1CHRM2CHRM4CHRM5
SCHEMBL25706168 0.70 CHRM2 (0.51) CTRCALDH1A1CHRM2CHRM4CHRM5

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 3914/4885ALDH1A1 355/4885CHRM2 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.