SCHEMBL5539232

SCHEMBL5539232

O=[C]OCc1cnc(-c2ccccc2F)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.37
HSD17B13 Q7Z5P4 2/20 0.36
NOTUM Q6P988 1/20 0.34
FFAR1 O14842 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
STK17B O94768 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
CYP11B1 P15538 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL5546252 0.92 KDM4E (0.43) KDM4EHSD17B13
SCHEMBL5544714 0.84 AVPR2 (0.41) ALDH1A1NOTUMFFAR1CDC7DBF4
SCHEMBL5540526 0.81 CYP11B1 (0.49) KDM4EALDH1A1NPC1RAB9ACYP11B1
SCHEMBL5540137 0.80 ADRA2A (0.32)
SCHEMBL5541836 0.80 HSD17B13 (0.39) KDM4EHSD17B13FFAR1NPC1RAB9A
SCHEMBL5543359 0.76 FEN1 (0.34) KDM4EALDH1A1NOTUMNPC1STK17B
SCHEMBL15356501 0.75 KDM4E (0.42) KDM4EALDH1A1HSD17B13NOTUMNPC1
SCHEMBL29670375 0.75 KDM4E (0.42) KDM4EALDH1A1HSD17B13NPC1RAB9A
SCHEMBL18975047 0.75 KDM4E (0.42) KDM4EALDH1A1HSD17B13NPC1RAB9A
SCHEMBL5537739 0.74 KDM4E (0.40) KDM4EALDH1A1HSD17B13RAB9ACDC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 KDM4E 4854/4885ALDH1A1 355/4885HSD17B13 126/4885

“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.