SCHEMBL5536902

SCHEMBL5536902

O=[C]CCN1CCN(CC(=O)Nc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KCNA5 P22460 5/20 0.64
NPC1 O15118 2/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNB4 P30926 1/20 0.58
CHRNA3 P32297 1/20 0.58
CHRNA4 P43681 1/20 0.58
ME2 P23368 1/20 0.58
ME1 P48163 1/20 0.58
ME3 Q16798 1/20 0.58
REV1 Q9UBZ9 1/20 0.56
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL6893687 0.86 ALDH1A1 (0.79) ALDH1A1KCNA5NPC1LMNASMN1; SMN2
SCHEMBL5536418 0.85 ALDH1A1 (0.67) ALDH1A1KCNA5NPC1LMNASMN1; SMN2
SCHEMBL5541733 0.83 FAAH (0.65) KDM4ENPSR1
SCHEMBL5537720 0.83 CA1 (0.56) ALDH1A1KCNA5LMNAKDM4EMEN1
SCHEMBL10474169 0.82 LMNA (0.77) ALDH1A1KCNA5NPC1LMNASMN1; SMN2
SCHEMBL14192211 0.82 ALDH1A1 (0.72) ALDH1A1KCNA5NPC1LMNASMN1; SMN2
SCHEMBL5540755 0.80 TDP1 (0.61) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5536912 0.80 ALDH1A1 (0.70) ALDH1A1KCNA5NPC1LMNASMN1; SMN2
SCHEMBL5539236 0.80 KMT2A (0.73) ALDH1A1KCNA5LMNASMN1; SMN2KDM4E
SCHEMBL11147683 0.80 ALDH1A1 (0.90) ALDH1A1NPC1LMNASMN1; SMN2KDM4E

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 355/4885KCNA5 3953/4885NPC1 2404/4885

“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.