SCHEMBL5539358

SCHEMBL5539358

Clc1cccc(CN[CH]c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
LMNA P02545 3/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PNMT P11086 1/20 0.44
APP P05067 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHRM5 P08912 1/20 0.43
C3AR1 Q16581 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL5535117 0.86 KDM1A (0.44) LMNAGRIN1GRIN2BNPC1RAB9A
SCHEMBL7385255 0.81 ADH1B (0.58) CHRM2MAPTALDH1A1HPGD
SCHEMBL5545644 0.81 ACHE (0.48) LMNAMAPTHTTAPPALDH1A1
SCHEMBL5539505 0.80 LMNA (0.50) LMNAALDH1A1HPGD
SCHEMBL5544373 0.79 PLA2G1B (0.47) LMNASIGMAR1PNMTALDH1A1HPGD
SCHEMBL5541903 0.79 IDO1 (0.41) LMNASIGMAR1MAPTAPPRAB9A
SCHEMBL5541612 0.79 KDM1A (0.47) MAPTNPSR1APPALDH1A1TAAR1
SCHEMBL5536817 0.79 NFE2L2 (0.47) MAPTAPPRAB9ATAAR1
SCHEMBL12614632 0.77 CHRM2 (0.53) CHRM2LMNAMAPTPNMTTAAR1
SCHEMBL29587796 0.77 ADH1B (0.59) CHRM2LMNAPNMTTAAR1

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 CHRM2 862/4885LMNA 4152/4885GRIN1 289/4885

“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.