SCHEMBL5544626

SCHEMBL5544626

CCCCCN1C(=O)[N]c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ ALDH2 P05091 1/20 0.53
▸ ALDH3A1 P30838 1/20 0.53
▸ CDC25A P30304 8/20 0.51
▸ CES1 P23141 2/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CNR2 P34972 3/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ PTGS1 P23219 3/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ FAAH O00519 1/20 0.43

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
SCHEMBL5547622 0.98 CDC25A (0.54) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL4754016 0.95 ALDH1A1 (0.46) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL4750501 0.88 ADRA2A (0.44) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL8185591 0.82 SLC9A1 (0.35) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL4952094 0.82 HTR2A (0.47) ALDH1A1ALDH2ALDH3A1
SCHEMBL7436460 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACNR1MGLL
SCHEMBL4753186 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACNR1MGLL
SCHEMBL5542614 0.78 PTGS1 (0.41) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL5546387 0.78 CNR2 (0.46) CDC25ACES1CNR2CNR1PTGS1
SCHEMBL15644072 0.74 ALDH1A1 (0.59) ALDH1A1ALDH2ALDH3A1CDC25ACES1

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 ALDH1A1 355/4885ALDH2 387/4885ALDH3A1 98/4885

“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.

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