SCHEMBL5546274

SCHEMBL5546274

O=[C]CSc1ccc(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CCR2 P41597 4/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
UBE2N P61088 1/20 0.32
HTR2A P28223 2/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
AR P10275 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
TP53 P04637 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL5546396 0.81 AR (0.44) CA2ALDH1A1LMNAKMT2AAR
SCHEMBL6541714 0.78 TDP1 (0.44) ALDH1A1LMNAUBE2NKMT2ATP53
SCHEMBL27112681 0.75 CCR2 (0.39) CCR2HTR2AKMT2AHTR2CHTR2B
SCHEMBL6212441 0.73 PDE7A (0.54) CA2ALDH1A1KMT2AL3MBTL1
SCHEMBL5541910 0.73 SMN1; SMN2 (0.42) ALDH1A1LMNAKMT2ATP53L3MBTL1
SCHEMBL5544237 0.72 CA2 (0.38) CA2CCR2ALDH1A1LMNAUBE2N
SCHEMBL5773344 0.72 CCR2 (0.40) CCR2ALDH1A1LMNAHTR2AKMT2A
SCHEMBL30686450 0.72 CCR2 (0.40) CCR2ALDH1A1LMNAHTR2AKMT2A
SCHEMBL10821427 0.71 TSHR (0.35) ALDH1A1KMT2AKDM4E
SCHEMBL23912721 0.70 CCR2 (0.39) CCR2ALDH1A1LMNAHTR2AKMT2A

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 5 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

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 CA2 1853/4885CCR2 329/4885ALDH1A1 355/4885

“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.