SCHEMBL5543112

SCHEMBL5543112

[CH2]c1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.42
ALOX5 P09917 1/20 0.42
DHFR P00374 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PDK2 Q15119 1/20 0.41
PTGS1 P23219 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
SCHEMBL9862849 0.84 NPC1 (0.50) TDO2NPC1RAB9ATP53TSHR
SCHEMBL5050877 0.80 CYP2A6 (0.52) TDO2NPC1RAB9ATP53TSHR
SCHEMBL27500515 0.79 ALDH1A1 (0.42) TSHRPTGS2
SCHEMBL29464821 0.78 CYP2A6 (0.62) TDO2NPC1RAB9ATP53TSHR
SCHEMBL1520883 0.78 CYP2A6 (0.62) TDO2NPC1RAB9ATP53TSHR
SCHEMBL25681057 0.77 NPC1 (0.48) TDO2NPC1RAB9ATP53TSHR
SCHEMBL2688189 0.76 CYP1A2 (0.50) NPC1RAB9ATP53TSHRNFKB1
SCHEMBL398850 0.75 ALDH1A1 (0.58) TDO2NPC1RAB9ATP53TSHR
SCHEMBL3835519 0.75 PTPRC (0.47) TDO2NPC1RAB9ATP53TSHR
SCHEMBL10827299 0.75 MAOB (0.46) TDO2NPC1RAB9ATP53TSHR

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 TDO2 1351/4885NPC1 2404/4885RAB9A 2824/4885

“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.