SCHEMBL5537404

SCHEMBL5537404

O=C1[N]CCN1Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
P2RX7 Q99572 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2A13 Q16696 1/20 0.45
PIM1 P11309 1/20 0.44
KMT2A Q03164 2/20 0.43
KCNH2 Q12809 1/20 0.43
GRM2 Q14416 1/20 0.43
RIPK1 Q13546 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL5541638 0.81 CYP2A13 (0.45) ALDH1A1KDM4EL3MBTL1CYP2A13KCNH2
SCHEMBL5542558 0.81 CYP1A2 (0.52) ALDH1A1POLBCYP1A2CYP2C19MAPT
SCHEMBL5536939 0.77 MEN1 (0.48) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL5251526 0.76 DDB1 (0.49) ALDH1A1POLBCYP2C9CYP2C19CYP2D6
SCHEMBL5541841 0.75 P2RX7 (0.50) ALDH1A1POLBCYP1A2CYP2C19KDM4E
SCHEMBL4137157 0.74 ALDH1A1 (0.53) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5539260 0.73 ALDH1A1 (0.56) ALDH1A1POLBMAPTL3MBTL1KMT2A
SCHEMBL5547283 0.73 ALDH1A1 (0.49) ALDH1A1POLBL3MBTL1TSHRHTT
SCHEMBL5543388 0.72 ALDH1A1 (0.33) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL11801718 0.72 ALDH1A1 (1.00) ALDH1A1POLBCYP1A2CYP2C9CYP2C19

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 355/4885POLB 1637/4885CYP1A2 659/4885

“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.