SCHEMBL5538752

SCHEMBL5538752

CCCCc1ccc2sc([O])nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
NFKB1 P19838 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 9/20 0.41

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
SCHEMBL5537849 0.94 TLR8 (0.44) HSD17B10NFKB1MAPTSMN1; SMN2NPC1
SCHEMBL5541758 0.90 HSD17B10 (0.45) HSD17B10NFKB1L3MBTL1KDM4EPKM
SCHEMBL5542728 0.88 CASP3 (0.52) HSD17B10NFKB1L3MBTL1MAPTKDM4E
SCHEMBL5543821 0.83 NPC1 (0.47) HSD17B10NFKB1L3MBTL1MAPTKDM4E
SCHEMBL5540542 0.83 CASP3 (0.48) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL5545673 0.82 CASP3 (0.47) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL5538757 0.81 HSD17B10 (0.46) HSD17B10NFKB1CASP3SENP8SENP7
SCHEMBL7648815 0.81 HSD17B10 (0.43) HSD17B10NFKB1L3MBTL1LMNACYP1A2
SCHEMBL11862222 0.79 CASP3 (0.47) HSD17B10CASP3SENP8SENP7SENP6
SCHEMBL28265575 0.78 KDM4E (0.60) NFKB1L3MBTL1MAPTKDM4EMEN1

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 HSD17B10 467/4885NFKB1 1554/4885L3MBTL1 1931/4885

“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.