SCHEMBL5536571

SCHEMBL5536571

O=COCCc1nnnn1-c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
POLB P06746 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HTT P42858 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
PKM P14618 2/20 0.37
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 5/20 0.36
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
S1PR4 O95977 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
S1PR1 P21453 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5543973 0.86 POLB (0.45) HSD11B1POLBIDO1TDO2HTT
SCHEMBL5537091 0.85 ALDH1A1 (0.42) HSD11B1HTTSMN1; SMN2LMNAPKM
SCHEMBL5546087 0.84 HSD11B1 (0.50) HSD11B1POLBHTTSMN1; SMN2LMNA
SCHEMBL5548019 0.84 HSD11B1 (0.53) HSD11B1POLBHTTSMN1; SMN2LMNA
SCHEMBL5536565 0.82 HSD11B1 (0.44) HSD11B1POLBIDO1TDO2HTT
SCHEMBL5544591 0.81 NPC1 (0.37) HSD11B1HTTALDH1A1MAPTRAB9A
SCHEMBL5543439 0.76 ALDH1A1 (0.48) HSD11B1IDO1HTTLMNAPKM
SCHEMBL5537177 0.76 ALDH1A1 (0.49) HSD11B1HTTLMNAPKMNLRP3
SCHEMBL5546454 0.76 POLB (0.44) HSD11B1POLBIDO1TDO2HTT
SCHEMBL5539749 0.73 KCNN4 (0.41) HSD11B1HTTLMNAPKMNLRP3

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 HSD11B1 256/4885POLB 1637/4885IDO1 3181/4885

“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.