SCHEMBL5542841

SCHEMBL5542841

O=CN(Cc1ccccc1)Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.47
TDP1 Q9NUW8 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.45
HTT P42858 4/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.41
NR3C1 P04150 1/20 0.40
KCNA5 P22460 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
ACKR3 P25106 1/20 0.39
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL26802 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1KMT2ANPSR1
SCHEMBL5542200 0.80 KCNA5 (0.50) ALDH1A1KDM4ETDP1TAS2R14KMT2A
SCHEMBL5540129 0.79 TSHR (0.45) ALDH1A1TDP1KMT2AMEN1LMNA
SCHEMBL5542131 0.79 TAS2R14 (0.45) ALDH1A1KDM4ETAS2R14LMNANR3C1
SCHEMBL14855453 0.77 CYP1A2 (0.50) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL5543736 0.76 MEN1 (0.50) ALDH1A1SMN1; SMN2TDP1TAS2R14KMT2A
SCHEMBL5542832 0.74 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2TDP1TAS2R14
SCHEMBL5540778 0.73 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
Malonic Acid SCHEMBL16431221 0.73 NPC1 (0.47) ALDH1A1SMN1; SMN2TDP1HTTKMT2A
SCHEMBL5548405 0.73 G6PC1 (0.49) KDM4ETDP1TAS2R14KMT2AMEN1

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 355/4885KDM4E 4854/4885SMN1; SMN2 3985/4885

“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.