SCHEMBL5542487

SCHEMBL5542487

CCCCCN1CC(C)(C)c2cc(C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TLR8 Q9NR97 4/20 0.36
EEF2K O00418 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 3/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 2/20 0.33
F2 P00734 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
SCHEMBL5544189 0.99 RARB (0.45) RARBRARGALDH1A1LMNATSHR
SCHEMBL5545905 0.95 ALDH1A1 (0.43) RARBRARGALDH1A1LMNATSHR
SCHEMBL5540500 0.89 ALDH1A1 (0.40) RARBRARGALDH1A1LMNATSHR
SCHEMBL5542480 0.84 RARB (0.42) RARBRARGALDH1A1LMNATSHR
SCHEMBL5544184 0.83 RARB (0.44) RARBRARGALDH1A1EEF2K
SCHEMBL5542437 0.83 ALDH1A1 (0.39) ALDH1A1LMNATSHRPOLBMAPT
SCHEMBL1573643 0.80 NOTUM (0.47) RARBRARGALDH1A1LMNAEEF2K
SCHEMBL10331082 0.79 NOTUM (0.46) RARBRARGALDH1A1LMNAEEF2K
SCHEMBL30928324 0.79 NOTUM (0.46) RARBRARGALDH1A1LMNAEEF2K
SCHEMBL29402742 0.79 NOTUM (0.46) RARBRARGALDH1A1LMNAEEF2K

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 RARB 59/4885RARG 155/4885ALDH1A1 355/4885

“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.