SCHEMBL5545180

SCHEMBL5545180

O=C(OCc1ccccc1)N1CCC(N2C(=O)[N]c3cc(F)ccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
TRPC3 Q13507 1/20 0.46
TRPC7 Q9HCX4 1/20 0.46
GRIN2B Q13224 10/20 0.45
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.42
GRM5 P41594 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
SCHEMBL5545954 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL3418329 0.74 L3MBTL1 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30550094 0.74 L3MBTL1 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL14529024 0.72 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2896415 0.72 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1930828 0.72 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL24183442 0.71 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4439124 0.71 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4433063 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL4851784 0.71 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 SMN1; SMN2 3985/4885NPC1 2404/4885RAB9A 2824/4885

“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.