SCHEMBL5543649

SCHEMBL5543649

CC(C)N1C(=O)[N]c2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ RAD51 Q06609 1/20 0.34
▸ KCNN4 O15554 5/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ AADAT Q8N5Z0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 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
SCHEMBL5546306 0.80 TSHR (0.38) ALDH1A1RAD51NPSR1AADATKDM4E
SCHEMBL4813307 0.72 SMN1; SMN2 (0.38) ALDH1A1NPSR1P2RX3KDM4ECYP1A2
SCHEMBL5541636 0.70 HCAR1 (0.39) ALDH1A1RAD51NPSR1AADATKDM4E
SCHEMBL27048738 0.68 HSP90AA1 (0.46) ALDH1A1HSP90AA1
SCHEMBL17359363 0.66 CYBB (0.39) ALDH1A1NPSR1PDE2AKDM4EMEN1
SCHEMBL27048504 0.66 NR1H3 (0.42) ALDH1A1HSP90AA1
SCHEMBL21483640 0.65 P2RX3 (0.39) ALDH1A1P2RX3KDM4EMEN1TSHR
SCHEMBL17973812 0.64 KRAS (0.40) ALDH1A1NPSR1PDE2AP2RX3
SCHEMBL30686749 0.62 ALDH1A1 (0.39) ALDH1A1PDE2AAADATKDM4EMEN1
SCHEMBL26689195 0.62 ALDH1A1 (0.39) ALDH1A1PDE2AAADATKDM4EMEN1

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 355/4885RAD51 2502/4885KCNN4 3997/4885

“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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