SCHEMBL5543995

SCHEMBL5543995

[CH2]c1scc2ccc(OCC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPT P10636 2/20 0.47
NQO1 P15559 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
CYP1A2 P05177 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CDC25A P30304 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
SCHEMBL5537460 0.86 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL5544002 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL5543336 0.80 CYP1A2 (0.45) ALDH1A1HSD17B10MAPTKMT2AMEN1
SCHEMBL19583392 0.77 NQO1 (0.59) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL5544022 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL3825385 0.74 NQO1 (0.68) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL29629327 0.74 NQO1 (0.68) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL5537466 0.72 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTNQO1KMT2A
SCHEMBL5535295 0.72 GPR3 (0.40) HSD17B10CYP1A2TP53CYP3A4KDM4E
SCHEMBL18417197 0.71 NQO1 (0.56) ALDH1A1HSD17B10MAPTNQO1KMT2A

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 355/4885HSD17B10 467/4885MAPT 4117/4885

“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.