SCHEMBL5535754

SCHEMBL5535754

O=C1[N]CCN1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
KAT2B Q92831 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
P2RX7 Q99572 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
SCHEMBL5546659 0.85 CHRNB2 (0.34) MAOBMAPTCYP2C9CYP2C19ERCC1
SCHEMBL5543146 0.84 ERCC1 (0.46) MAOBERCC1ERCC4CHRNB2CHRNA4
SCHEMBL5539504 0.84 MAPT (0.60) MAOBADORA2AMAPTCYP2C9CYP2C19
SCHEMBL5537759 0.79 POLB (0.49) MAOBMAPTDRD3ALDH1A1KCNH2
SCHEMBL5251526 0.79 DDB1 (0.49) L3MBTL1CYP2C9CYP2C19DRD3ALDH1A1
SCHEMBL5543388 0.78 ALDH1A1 (0.33) MAPTCYP2C9CYP2C19ALDH1A1P2RX7
SCHEMBL5539260 0.76 ALDH1A1 (0.56) L3MBTL1MAPTALDH1A1KCNH2MEN1
SCHEMBL5540694 0.76 ALDH1A1 (0.42) CHRNB2CHRNA4CHRNA1CHRNA3CHRNA7
SCHEMBL9704138 0.76 ERCC1 (0.39) ERCC1ERCC4KCNH2
SCHEMBL5537205 0.76 ROCK2 (0.42) MEN1GAAKMT2A

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 L3MBTL1 1931/4885MAOB 2140/4885ADORA2A 1954/4885

“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.