SCHEMBL5534564

SCHEMBL5534564

[CH2]c1cc2ccc(OCC)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TP53 P04637 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
PSMB8 P28062 1/20 0.47
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL5537461 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL13885724 0.81 ALDH1A1 (0.51) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL5542989 0.80 CA2 (0.54) ALDH1A1KMT2ACYP3A4TSHRPSMB8
SCHEMBL7502890 0.77 HSD17B10 (0.48) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL20126469 0.76 HSD17B10 (0.50) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL3825385 0.74 NQO1 (0.68) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL29629327 0.74 NQO1 (0.68) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL2896304 0.74 CHRNA7 (0.51) ALDH1A1KMT2AHSD17B10TP53CYP3A4
SCHEMBL5535299 0.72 NPC1 (0.50) HSD17B10TP53CYP3A4LMNACA2
SCHEMBL17858452 0.72 CHRNA7 (0.52) ALDH1A1KMT2AHSD17B10TP53CYP3A4

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 ALDH1A1 355/4885KMT2A 4267/4885HSD17B10 467/4885

“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.