SCHEMBL5540341

SCHEMBL5540341

Fc1cccc([CH]c2nnn[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
NPC1 O15118 1/20 0.42
CHRM5 P08912 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
IKBKB O14920 1/20 0.37
FGFR1 P11362 1/20 0.37
NQO2 P16083 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5543150 0.80 CHRM5 (0.42) CYP1A2CYP2D6NPC1CHRM5MAOA
SCHEMBL3656377 0.78 KMT2A (0.34) CYP1A2PKMMAPK1NPC1RAB9A
SCHEMBL3300301 0.73 NFE2L2 (0.71) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5535983 0.69
SCHEMBL3298403 0.68 NFE2L2 (0.68) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL704854 0.67 MGAM (0.43) MAPK1RELA
SCHEMBL18240554 0.66 NFE2L2 (0.69) NFE2L2CYP1A2CYP3A4CYP2D6PKM
SCHEMBL2457565 0.66 KMT2A (0.47) NFE2L2CYP1A2PKMMAPK1NPC1
SCHEMBL2457562 0.66 KMT2A (0.47) NFE2L2CYP1A2PKMMAPK1NPC1
SCHEMBL700536 0.65 NFE2L2 (1.00) NFE2L2CYP1A2CYP3A4CYP2D6PKM

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 NFE2L2 846/4885CYP1A2 659/4885CYP3A4 1683/4885

“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.