SCHEMBL5542222

SCHEMBL5542222

N#Cc1cc(C#N)c([O])c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.44
TSHR P16473 2/20 0.39
GPR35 Q9HC97 5/20 0.39
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
STS P08842 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
SCHEMBL3032519 0.74 CA1 (0.46) TSHRCA1CA2USP8USP7
SCHEMBL3048555 0.74 VCAM1 (0.41) VCAM1TSHRGPR35TTRALB
SCHEMBL2040623 0.74 VCAM1 (0.41) VCAM1TSHRGPR35TTRALB
SCHEMBL5250677 0.72 VCAM1 (0.39) VCAM1TSHRGPR35TTRALB
SCHEMBL22130481 0.72 TTR (0.48) VCAM1TSHRGPR35TTRALB
SCHEMBL11525607 0.72 VCAM1 (0.39) VCAM1TSHRTTRALBMEN1
SCHEMBL3679283 0.72 TTR (0.54) VCAM1TSHRGPR35TTRALB
SCHEMBL21918828 0.72 VCAM1 (0.39) VCAM1TSHRGPR35TTRALB
SCHEMBL17546133 0.72 TRPV4 (0.39) VCAM1TSHRTTRALBMEN1
SCHEMBL3955231 0.72 TTR (0.42) VCAM1TSHRGPR35TTRALB

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 7 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
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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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 VCAM1 3032/4885TSHR 319/4885GPR35 2051/4885

“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.