SCHEMBL5544016

SCHEMBL5544016

[CH2]c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.57
SRD5A2 P31213 1/20 0.51
MARS1 P56192 6/20 0.44
HSD11B1 P28845 2/20 0.43
TP53 P04637 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2933108 0.86 AHR (0.67) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL31245800 0.78 AHR (0.57) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL21723080 0.78 AHR (0.57) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL1045006 0.78 AHR (0.57) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL1513663 0.78 MEN1 (0.58) AHRSRD5A2MARS1SMN1; SMN2TSHR
SCHEMBL32670439 0.78 AHR (0.57) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL7136627 0.78 AHR (0.57) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL32670543 0.78 AHR (0.52) AHRSRD5A2MARS1HSD11B1TP53
SCHEMBL9293227 0.78 AHR (0.52) AHRSRD5A2HSD11B1TP53NPC1
SCHEMBL510771 0.77 AHR (0.61) AHRSRD5A2MARS1HSD11B1TP53

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 AHR 1471/4885SRD5A2 167/4885MARS1 2415/4885

“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.