SCHEMBL5543930

SCHEMBL5543930

[CH2]CCCCc1ccc2c(c1)CCC(=O)N2C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.46
CYP11B2 P19099 11/20 0.43
CYP11B1 P15538 10/20 0.43
CYP1A2 P05177 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TRIM24 O15164 2/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL5540291 0.99 TMEM97 (0.45) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5546408 0.96 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5544502 0.90 TMEM97 (0.48) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5535621 0.84 TMEM97 (0.50) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL763180 0.79 SRD5A1 (0.52) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL20971275 0.78 TMEM97 (0.50) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL14518823 0.75 TMEM97 (0.51) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL28921765 0.73 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL29913714 0.73 TMEM97 (0.46) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1
SCHEMBL5543650 0.72 CYP11B2 (0.51) TMEM97CYP11B2CYP11B1CYP1A2CYP17A1

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 TMEM97 335/4885CYP11B2 373/4885CYP11B1 514/4885

“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.