SCHEMBL5540429

SCHEMBL5540429

[CH2]c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2A6 P11509 1/20 0.42
LTA4H P09960 3/20 0.41
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTGS2 P35354 1/20 0.40
SRD5A2 P31213 1/20 0.39
CA1 P00915 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL391385 0.86 MAPT (0.74) MAPTMAOAMAOBCYP2A6LTA4H
SCHEMBL8155467 0.86 ALDH1A1 (0.47) MAPTMAOAMAOBLTA4HALDH1A1
SCHEMBL3842527 0.86 MAPT (0.74) MAPTMAOAMAOBCYP2A6LTA4H
SCHEMBL3843978 0.86 MAPT (0.74) MAPTMAOAMAOBCYP2A6LTA4H
Phosphine SCHEMBL23732402 0.83 MAPT (0.70) MAPTMAOAMAOBCYP2A6LTA4H
SCHEMBL25407 0.83
Hydrogen Sulfide SCHEMBL8755564 0.80 MAPT (0.67) MAPTMAOAMAOBCYP2A6LTA4H
SCHEMBL9339340 0.78 MAPT (0.47) MAPTMAOAMAOBLTA4HALDH1A1
SCHEMBL6268474 0.78 MAPT (0.64) MAPTMAOAMAOBCYP2A6LTA4H
SCHEMBL94176 0.76 LTA4H (0.67) MAOAMAOBLTA4HCA2CA9

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 6 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
US-6927216-B2 Cyclic sulfonyl compounds as inhibitors of metalloproteases BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-08-09 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 MAPT 4117/4885MAOA 2885/4885MAOB 2140/4885

“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.