SCHEMBL5544524

SCHEMBL5544524

[CH2]c1ccc(-c2ccccc2Br)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 3/20 0.47
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 2/20 0.40
NCOA2 Q15596 2/20 0.40
NCOA1 Q15788 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RAB9A P51151 4/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
C1R P00736 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
SCHEMBL5543164 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL5544530 0.75 ALDH1A1 (0.49) MAOBMAOAALDH1A1MAPK1MAPT
SCHEMBL5544654 0.75 KMT2A (0.46) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL31619046 0.71 KDM4E (0.58) MAOBMAOAALDH1A1MAPTKMT2A
SCHEMBL10465507 0.71 MAOA (0.43) MAOBMAOAALDH1A1MAPK1MAPT
SCHEMBL10465024 0.71 KDM4E (0.58) MAOBMAOAALDH1A1MAPTKMT2A
SCHEMBL5539531 0.69 CYP2E1 (0.48) MAOBMAOAALDH1A1MAPK1MAPT
SCHEMBL31295703 0.68 ALDH1A1 (0.67) MAOBMAOAALDH1A1MAPK1MAPT
SCHEMBL358976 0.68 ALDH1A1 (0.67) MAOBMAOAALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL10464967 0.67 SLC9A1 (0.40) MAOBMAOAALDH1A1KMT2AMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 MAOB 2140/4885MAOA 2885/4885ALDH1A1 355/4885

“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.