SCHEMBL5536028

SCHEMBL5536028

C#CCC[CH]c1ccc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.39
AMY1A P0DUB6 1/20 0.36
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HTT P42858 2/20 0.30
ALDH1A1 P00352 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 1/20 0.30
HSP90B1 P14625 1/20 0.30
TRAP1 Q12931 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1609490 0.77 AMY1A (0.40) AMY1ATDP1TP53LMNAMEN1
SCHEMBL11649616 0.76 AMY1A (0.39) AMY1ATDP1TP53LMNAMEN1
SCHEMBL1611588 0.74 AMY1A (0.43) AMY1ATDP1TP53LMNAMEN1
SCHEMBL1610292 0.74 PDE5A (0.44) AMY1ATDP1TP53LMNAMAPT
SCHEMBL1611182 0.73 PDE5A (0.40) AMY1ATDP1TP53LMNAMAPT
SCHEMBL1611671 0.71 PDE5A (0.39) AMY1ALMNAMAPTKDM4EHTT
SCHEMBL1609536 0.71 PDE5A (0.39) AMY1ALMNAMAPTKDM4EHTT
SCHEMBL5480187 0.71 AMY1A (0.36) AMY1ATDP1TP53LMNAKMT2A
SCHEMBL11649550 0.70 AMY1A (0.35) AMY1ATDP1TP53LMNAMAPT
SCHEMBL7574435 0.70 AMY1A (0.45) PYCR1AMY1ATDP1TP53LMNA

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 PYCR1 783/4885AMY1A 4134/4885TDP1 4666/4885

“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.