SCHEMBL5538520

SCHEMBL5538520

O=CNCc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
P2RX7 Q99572 3/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
GRIN1 Q05586 2/20 0.33
KDM4E B2RXH2 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GAA P10253 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32

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
SCHEMBL15129218 0.89 P2RX7 (0.43) ALDH1A1P2RX7
SCHEMBL22854876 0.86 P2RX7 (0.42) ADH1BADH1CADH1AADH7ERN1
SCHEMBL22854964 0.84 P2RX7 (0.38) ADH1BADH1CADH1AADH7P2RX7
SCHEMBL22854880 0.78 RHOC (0.38) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL350370 0.77 ADH1B (0.50) ADH1BADH1CADH1AADH7TSHR
SCHEMBL5546538 0.77 ADH1B (0.50) ADH1BADH1CADH1AADH7ALDH1A1
Hydrochloric Acid SCHEMBL3341451 0.76 ADH1B (0.48) ADH1BADH1CADH1AADH7TSHR
SCHEMBL4887074 0.75 HTT (0.51) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL26568387 0.74 P2RX7 (0.35) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL2367135 0.73 ERN1 (0.38) ERN1ALDH1A1TDP1TSHRHSD17B10

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 ADH1B 281/4885ADH1C 285/4885ADH1A 494/4885

“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.