SCHEMBL5540733

SCHEMBL5540733

[CH2]CCCCC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
NAMPT P43490 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
FFAR1 O14842 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5534911 0.99 HDAC3 (0.47) KAT6AHDAC3HDAC1MRGPRX4NAMPT
SCHEMBL5541493 0.96 KAT6A (0.48) KAT6AHDAC3HDAC1MRGPRX4NAMPT
SCHEMBL2091938 0.90 KAT6A (0.50) KAT6AHDAC3HDAC1MRGPRX4NAMPT
SCHEMBL27629715 0.86 THRA (0.53) KAT6AHDAC3HDAC1TAS1R3TAS1R1
SCHEMBL3142098 0.86 KAT6A (0.49) KAT6AHDAC3HDAC1MRGPRX4NAMPT
SCHEMBL2092700 0.85 KAT6A (0.39) KAT6AHDAC3HDAC1MRGPRX4NAMPT
SCHEMBL19707300 0.84 THRA (0.51) KAT6AHDAC3HDAC1NAMPTTAS1R3
SCHEMBL2094983 0.84 KAT6A (0.52) KAT6AMRGPRX4NAMPTTAS1R3TAS1R1
SCHEMBL5545911 0.82 MMP2 (0.48) HDAC3HDAC1MRGPRX4HDAC8L3MBTL1
SCHEMBL2090930 0.81 MMP2 (0.47) HDAC3HDAC1HDAC8LMNAMAPT

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 KAT6A 2320/4885HDAC3 108/4885HDAC1 322/4885

“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.