SCHEMBL5537116

SCHEMBL5537116

[c]1cccc(-c2cc3ccccc3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
MAOA P21397 2/20 0.54
ALOX5 P09917 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
METAP2 P50579 1/20 0.44
ADRA2A P08913 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NFKB1 P19838 1/20 0.43
NPY1R P25929 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL1567277 0.80 MAOB (0.62) MAOBMAOAALOX5CA1CA2
SCHEMBL31105656 0.79 MAOB (0.71) MAOBMAOAALOX5CA1CA2
SCHEMBL731363 0.79 MAOB (0.71) MAOBMAOAALOX5CA1CA2
SCHEMBL3131797 0.78 RAB9A (0.69) MAOBRAB9ANPC1KMT2AKDM4E
SCHEMBL11492182 0.77 MAOB (0.49) MAOBMAOAALOX5CA1CA2
SCHEMBL1927674 0.77 MAOB (0.53) MAOBMAOAALOX5CA1CA2
SCHEMBL7125605 0.77 MAOB (0.68) MAOBMAOAALOX5CA1CA2
SCHEMBL5768216 0.76 MAOB (0.72) MAOBMAOAALOX5CA1CA2
SCHEMBL4659168 0.75 MAOB (0.78) MAOBMAOAALOX5CA1CA2
SCHEMBL103158 0.74 MAOB (0.63) MAOBMAOAALOX5CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
WO-2018140339-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2018-08-02 WO 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
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 MAOB 2140/4885MAOA 2885/4885ALOX5 3374/4885

“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.