SCHEMBL5545863

SCHEMBL5545863

O=[C]CCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.56
ALOX15 P16050 1/20 0.56
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 12/20 0.46
PYGL P06737 1/20 0.44
IDO1 P14902 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CYP2D6 P10635 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL5539473 0.98 IGF1R (0.54) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL5544401 0.94 IGF1R (0.53) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL5542604 0.86 PNMT (0.55) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL14829408 0.81 IGF1R (0.56) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL11199932 0.79 IGF1R (0.33) IGF1RALOX15ALDH1A1
SCHEMBL9026676 0.79 IGF1R (0.61) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL5543508 0.79 HDAC3 (0.49) IGF1RALOX15TAAR1HDAC6
SCHEMBL95778 0.77 PNMT (0.46) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL95777 0.77 PNMT (0.46) IGF1RALOX15PNMTTAAR1SIGMAR1
SCHEMBL11551178 0.77 IGF1R (0.59) IGF1RALOX15PNMTTAAR1SIGMAR1

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 IGF1R 459/4885ALOX15 2847/4885PNMT 4701/4885

“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.