SCHEMBL3129092

SCHEMBL3129092

Brc1cccc2c1C[N]CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
ABHD6 Q9BV23 4/20 0.35
PNMT P11086 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
CARM1 Q86X55 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIM1 P11309 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK5 Q00535 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
GID4 Q8IVV7 1/20 0.31
PRMT6 Q96LA8 1/20 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
SCHEMBL3243261 0.84 TRPA1 (0.37) TRPA1ABHD6PNMTPARP10PARP11
SCHEMBL585448 0.81 TRPA1 (0.40) TRPA1ABHD6PNMTPARP10PARP11
SCHEMBL2300158 0.76 DRD2 (0.41) BCL2L1BAD
SCHEMBL2299222 0.76 ADRA2A (0.47) PNMT
SCHEMBL5540906 0.76 NOS3 (0.33) BCL2L1BAD
SCHEMBL3976079 0.73
SCHEMBL2302441 0.73 TRPA1 (0.41) TRPA1PNMT
SCHEMBL597207 0.72 NOTUM (0.36)
SCHEMBL3946496 0.72 TRPA1 (0.44) TRPA1
SCHEMBL2301417 0.72 DRD2 (0.47)

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO 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

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 TRPA1 3038/4885ABHD6 4018/4885PNMT 4701/4885

“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.