SCHEMBL5535897

SCHEMBL5535897

[CH2]c1ccccc1Oc1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTR1B P28222 1/20 0.41
DHFR P00374 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.39
NUDT1 P36639 1/20 0.39
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
CRHBP P24387 1/20 0.38

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
SCHEMBL5535598 0.85 TSHR (0.52) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL29377898 0.85 MAPT (0.54) KEAP1MAPTMEN1KMT2ANPSR1
SCHEMBL1538371 0.85 MAPT (0.54) KEAP1MAPTMEN1KMT2ANPSR1
SCHEMBL8486101 0.83 MEN1 (0.54) KEAP1MAPTMEN1KMT2ANPSR1
Formaldehyde SCHEMBL27667426 0.83 MAPT (0.53) KEAP1MAPTMEN1KMT2ANPSR1
SCHEMBL5544903 0.82 TSHR (0.39) MEN1KMT2ACYP1A2L3MBTL1KDM4E
SCHEMBL7634253 0.80 CA1 (0.38) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL29185416 0.76 TSHR (0.56) KEAP1MAPTMEN1KMT2ACYP1A2
SCHEMBL981349 0.76 TRPA1 (0.56) KEAP1MAPTMEN1KMT2ANPSR1
SCHEMBL31093955 0.76 TRPA1 (0.56) KEAP1MAPTMEN1KMT2ANPSR1

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 KEAP1 1764/4885MAPT 4117/4885MEN1 3295/4885

“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.