SCHEMBL5535692

SCHEMBL5535692

Brc1cccc([CH]c2cc[nH]n2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.39
HSD17B3 P37058 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD11B1 P28845 1/20 0.37
CHEK1 O14757 1/20 0.36
KDR P35968 1/20 0.36
PKM P14618 1/20 0.36
CISD1 Q9NZ45 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PNP P00491 1/20 0.34

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
SCHEMBL27564939 0.81 LCK (0.44) ALDH1A1MAPTKDM4EL3MBTL1CHEK1
SCHEMBL5540093 0.79 CHRM5 (0.43) MAPTCYP2D6CYP1B1MAOAMAOB
SCHEMBL5537187 0.79 NFE2L2 (0.47) CYP2D6PKM
SCHEMBL5544142 0.78 CYP2A6 (0.32) ALDH1A1MAPTNPSR1CYP2D6CYP1B1
SCHEMBL1176839 0.77 KMT2A (0.35) ALDH1A1KDM4EL3MBTL1CHEK1KDR
SCHEMBL20535558 0.72
SCHEMBL5252884 0.69 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B3NPSR1HSD11B1
SCHEMBL5543299 0.68 HSD11B1 (0.35) HSD11B1
SCHEMBL5541641 0.67 HSD17B10 (0.37) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL5539084 0.67 NFE2L2 (0.34) ALDH1A1MAPTGAAL3MBTL1HSD11B1

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 355/4885MAPT 4117/4885HSD17B3 111/4885

“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.