SCHEMBL5539899

SCHEMBL5539899

O=[C]OCc1scc2cc(OC(F)(F)F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1A P35813 2/20 0.36
KIF11 P52732 1/20 0.35
PIM1 P11309 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
GRM5 P41594 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5539904 0.81 PPM1A (0.36) PPM1AKIF11PIM1GAAKDM4E
SCHEMBL5536093 0.75 MTNR1A (0.38) GAAKDM4ENPC1RAB9ASCN5A
SCHEMBL5538024 0.73 KIF11 (0.41) PPM1AKIF11PIM1GAAKDM4E
SCHEMBL5536091 0.73 NPC1 (0.39) PPM1APIM1GAAKDM4EKMT2A
SCHEMBL5538028 0.72 GRM5 (0.41) PPM1AKIF11PIM1GAAKDM4E
SCHEMBL5537180 0.71
SCHEMBL5537434 0.70 MRGPRX4 (0.38) KIF11GAAKDM4EKMT2ASLC6A2
SCHEMBL2092427 0.70 NLRP3 (0.35)
SCHEMBL514457 0.70 GPR84 (0.42) AR
SCHEMBL2091848 0.69 MRGPRX4 (0.43) SCN5ACYP3A4CYP2C9GPR3CES1

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 PPM1A 3442/4885KIF11 3946/4885PIM1 3129/4885

“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.