SCHEMBL2047532

SCHEMBL2047532

[CH2]CCCc1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALOX15 P16050 1/20 0.62
HTT P42858 1/20 0.62
UBE2T Q9NPD8 1/20 0.58
ASIC3 Q9UHC3 1/20 0.58
HTR1A P08908 7/20 0.56
HTR7 P34969 7/20 0.56
DRD2 P14416 6/20 0.56
SLC6A4 P31645 3/20 0.56
PDE10A Q9Y233 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
DRD3 P35462 5/20 0.50
HTR2A P28223 5/20 0.50
HTR2C P28335 4/20 0.50
HRH1 P35367 3/20 0.50

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
SCHEMBL5537342 0.95 SMN1; SMN2 (0.60) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL5543152 0.93 SMN1; SMN2 (0.59) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL8904885 0.89 UBE2T (0.61) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL9641726 0.89 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15HTTUBE2TASIC3
Bromide SCHEMBL11522514 0.85 SMN1; SMN2 (0.66) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL19372016 0.85 UBE2T (0.70) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL14835424 0.82 SMN1; SMN2 (0.67) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL14834856 0.82 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL20358330 0.82 SMN1; SMN2 (0.62) SMN1; SMN2ALOX15HTTUBE2TASIC3
SCHEMBL10763327 0.82 UBE2T (0.68) SMN1; SMN2ALOX15HTTUBE2TASIC3

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 14 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
CN-101384532-B method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD 2013-01-02 CN disclosed
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
CN-101384532-A Method for producing optically active alcohol KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2009-03-11 CN disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 (2 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 3985/4885ALOX15 2847/4885HTT 4644/4885
US-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 SMN1; SMN2 2625/4885ALOX15 2506/4885HTT 3013/4885

“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.