SCHEMBL5543921

SCHEMBL5543921

O=[C]OCc1csc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TLR7 Q9NYK1 1/20 0.48
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PIM1 P11309 1/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDE P14735 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL5548003 0.85 LMNA (0.48) TLR7KDM4EPIM1LMNAHTT
SCHEMBL5537339 0.81 LMNA (0.53) TLR7KDM4EPIM1LMNASMN1; SMN2
SCHEMBL1198654 0.81 ALDH1A1 (0.57) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL5546130 0.80 RAB9A (0.56) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL1198910 0.79 ALDH1A1 (0.60) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL1198918 0.79 ALDH1A1 (0.56) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL1198258 0.79 KDM4E (0.58) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL10517654 0.77 ALDH1A1 (0.49) ALDH1A1TLR7KDM4EMEN1KMT2A
SCHEMBL5539845 0.76 PIM1 (0.43) ALDH1A1KDM4EPIM1LMNAHTT
SCHEMBL5545436 0.76 MEN1 (0.42) ALDH1A1TLR7MEN1KMT2ALMNA

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 ALDH1A1 355/4885TLR7 756/4885KDM4E 4854/4885

“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.