SCHEMBL5540360

SCHEMBL5540360

CCCCOc1ccc(CN2CC[N]C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.49
GAA P10253 1/20 0.46
S1PR5 Q9H228 6/20 0.45
S1PR1 P21453 6/20 0.45
S1PR3 Q99500 4/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5546843 0.97 RAB9A (0.54) TSHRRAB9ANPC1ALDH1A1TP53
SCHEMBL5541487 0.96 NPC1 (0.56) TSHRRAB9ANPC1TP53MEN1
SCHEMBL5539616 0.89 ACACB (0.53) ALDH1A1TP53MEN1KMT2AHPGD
SCHEMBL5536668 0.82 GAA (0.55) ALDH1A1MEN1KMT2AGAA
SCHEMBL5543146 0.76 ERCC1 (0.46) TSHRALDH1A1HPGD
SCHEMBL9705989 0.74 GAA (0.52) ALDH1A1MEN1KMT2AGAA
SCHEMBL5539260 0.74 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1TP53MEN1
SCHEMBL5540694 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL5251526 0.74 DDB1 (0.49) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL1046370 0.74 TSHR (0.84) TSHRRAB9ANPC1ALDH1A1TP53

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 TSHR 319/4885RAB9A 2824/4885NPC1 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.