SCHEMBL5544035

SCHEMBL5544035

Cc1c([O])ccc2scnc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MELK Q14680 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7458773 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EMAPK1SMN1; SMN2
SCHEMBL30002773 0.76 MAPT (0.41) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1
SCHEMBL6129371 0.76 MAPT (0.41) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1
SCHEMBL15278576 0.76 ALDH1A1 (0.33) ALDH1A1HSD17B10
SCHEMBL8580366 0.76 CYP3A4 (0.34) ALDH1A1HSD17B10
SCHEMBL6982298 0.74 KDM4E (0.42) ALDH1A1KDM4EPKMEGLN1SMN1; SMN2
SCHEMBL5542542 0.74 NFKB1 (0.36) ALDH1A1KDM4EPKMMAPK1SMN1; SMN2
SCHEMBL2088376 0.71 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL6982304 0.71 KDM4E (0.39) KDM4EPKMEGLN1NPC1RAB9A
SCHEMBL7158040 0.71 CA12 (0.40) ALDH1A1HSD17B10KDM4ESMN1; SMN2NPC1

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 467/4885MELK 4489/4885

“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.