SCHEMBL5535945

SCHEMBL5535945

CCOc1ccc2sc[c]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 4/20 0.44
NQO1 P15559 1/20 0.43
PSMB8 P28062 1/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 3/20 0.38
MEN1 O00255 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 3/20 0.37
ESR2 Q92731 1/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL5535949 0.86 MAPT (0.51) ALDH1A1HSD17B10MAPTNQO1PSMB8
SCHEMBL386520 0.80 BACE1 (0.41) ALDH1A1HSD17B10MAPTPSMB8KMT2A
SCHEMBL9624277 0.73 MAPT (0.40) ALDH1A1HSD17B10MAPTKMT2AMEN1
SCHEMBL5541834 0.73 TRPA1 (0.36) ALDH1A1MAPTKMT2ANPC1MEN1
SCHEMBL5534583 0.72 GPR3 (0.40) HSD17B10MAPTTP53CYP3A4NPC1
SCHEMBL207919 0.70 CYP2A6 (0.33) TP53CYP3A4TDP1CYP1A2
SCHEMBL9624777 0.69 HSD17B10 (0.52) ALDH1A1HSD17B10MAPTTSHRTP53
SCHEMBL2885650 0.69 NQO1 (0.48) ALDH1A1HSD17B10MAPTNQO1PSMB8
SCHEMBL3793751 0.68 CA2 (0.51) ALDH1A1HSD17B10MAPTNQO1PSMB8
SCHEMBL31140212 0.67 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTNQO1PSMB8

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.