SCHEMBL5543591

SCHEMBL5543591

CN(C)CCCCCCCCCCCCCCCCCCCOC=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
DNM1 Q05193 4/20 0.42
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
PAOX Q6QHF9 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1B P28222 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
SCHEMBL5546579 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL5543623 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL5544705 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL5544556 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL5540996 1.00 ALDH1A1 (0.50) ALDH1A1TSHRDNM1KDM4ESMN1; SMN2
SCHEMBL635045 0.91
SCHEMBL22421663 0.82 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL425201 0.80
SCHEMBL2281979 0.80 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL2285548 0.80 ALDH1A1 (0.32) ALDH1A1TSHR

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 355/4885TSHR 319/4885DNM1 1442/4885

“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.