SCHEMBL5538533

SCHEMBL5538533

[CH2]Cc1cccc(Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
IDH1 O75874 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HNF4A P41235 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
LTA4H P09960 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
ATM Q13315 1/20 0.38
MPO P05164 2/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 1/20 0.38
FDFT1 P37268 1/20 0.37

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
SCHEMBL7613502 0.87 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL13971231 0.87 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL1807040 0.84 GRIN2D (0.42) CALM1LOXL2ATMLMNA
SCHEMBL5198189 0.83 SLC5A2 (0.42) CALM1IDH1MTNR1AMTNR1BLTA4H
SCHEMBL330370 0.82 CALM1 (0.67) CALM1IDH1BCL2BCL2L1HNF4A
SCHEMBL5543556 0.82 CALM1 (0.52) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL5546859 0.81 MAOA (0.56) LOXL2
SCHEMBL28173954 0.79 CALM1 (0.80) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL28202766 0.79
SCHEMBL19313659 0.78 CALM1 (0.60) CALM1IDH1PRSS1PRSS2PRSS3

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 CALM1 2859/4885IDH1 233/4885PRSS1 4815/4885

“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.