SCHEMBL5539648

SCHEMBL5539648

C[CH]c1cccc2sccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 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
SCHEMBL2263913 0.79 CYP2A6 (0.57) CYP2A6ADRA2AADRA2BMAPTKDM4E
SCHEMBL3812893 0.76 TUBB4A (0.35) CYP2A6ADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL9113697 0.73 ADRA2A (0.32) CYP2A6ADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL3617335 0.73 NFE2L2 (0.48) CYP2A6KDM4EPTGS1PTGS2TUBB4A
SCHEMBL9112211 0.73 CYP2A6 (0.34) CYP2A6ADRA2AADRA2BSLC6A2SLC6A4
SCHEMBL3617338 0.73 NFE2L2 (0.48) CYP2A6KDM4EPTGS1PTGS2TUBB4A
SCHEMBL11708827 0.72 CYP2A6 (0.64) CYP2A6MAPTKDM4EPTGS1PTGS2
SCHEMBL3812889 0.72 ADRA2A (0.36) CYP2A6ADRA2AADRA2BMAPTCYP19A1
SCHEMBL9113126 0.72 ADRA2A (0.33) CYP2A6ADRA2AADRA2BMAPTCYP19A1
SCHEMBL156152 0.71 CYP1A2 (0.48) CYP2A6ADRA2AADRA2BSLC6A2SLC6A4

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 1119/4885ADRA2A 746/4885ADRA2B 396/4885

“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.