SCHEMBL5545644

SCHEMBL5545644

Cc1cccc(CN[CH]c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
BCHE P06276 1/20 0.46
APP P05067 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
IDO1 P14902 2/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41

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
SCHEMBL5544036 0.87 TACR1 (0.39) ACHEBACE1ALDH1A1HPGDMAOA
SCHEMBL7385255 0.82 ADH1B (0.58) ALDH1A1KDM4EHPGDMAOAMMP1
SCHEMBL5542584 0.81 SMN1; SMN2 (0.49) ACHEBACE1ALDH1A1BCHEAPP
SCHEMBL5541903 0.81 IDO1 (0.41) ALDH1A1CYP2D6APPIDO1ADH1B
SCHEMBL5536817 0.81 NFE2L2 (0.47) APPTAAR1MAOAMAOBIDO1
SCHEMBL5541612 0.81 KDM1A (0.47) ALDH1A1CYP2D6APPTAAR1MAOA
SCHEMBL5539358 0.81 CHRM2 (0.49) ALDH1A1APPHPGDTAAR1LMNA
SCHEMBL5537826 0.80 ALDH1A1 (0.52) ALDH1A1BCHEKDM4EMAOAMAOB
SCHEMBL23543331 0.78 ALDH1A1 (0.49) ACHEBACE1ALDH1A1CYP2D6BCHE
SCHEMBL3306896 0.78 ADH1B (0.59) ACHEBACE1ALDH1A1CYP2D6BCHE

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 ACHE 4670/4885BACE1 3399/4885ALDH1A1 355/4885

“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.