SCHEMBL5538543

SCHEMBL5538543

C[C](C)Cc1cc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.63
ASIC3 Q9UHC3 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.58
ADRB2 P07550 1/20 0.58
AGXT P21549 1/20 0.53
IDH1 O75874 1/20 0.46
GLS O94925 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MGLL Q99685 1/20 0.44
ADRA1D P25100 2/20 0.44

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
SCHEMBL19821752 0.85 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL29534459 0.79 CYP2A6 (0.61) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL631264 0.79 CYP2A6 (0.61) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL21697569 0.79 CYP2A6 (0.56) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL11221999 0.79 CYP2A6 (0.51) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL7340276 0.78 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL6963172 0.78 CYP2A6 (0.60) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL11215245 0.78 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL31356469 0.78 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT
SCHEMBL1029348 0.78 CYP2A6 (0.59) CYP2A6ASIC3LOXL2ADRB2AGXT

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 CYP2A6 1119/4885ASIC3 211/4885LOXL2 3768/4885

“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.