SCHEMBL5542290

SCHEMBL5542290

COc1cccc2csc(C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.39
DCPS Q96C86 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5534863 0.80 KDM4E (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL5542280 0.79 KDM4E (0.39) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL5544215 0.79 SCN9A (0.46) GRM5CYP3A4
SCHEMBL5545121 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8404424 0.75 ALDH1A1 (0.44) ALDH1A1HPGDCA1CA2CA7
SCHEMBL443530 0.74 CA12 (0.55) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL29709902 0.74 CA12 (0.55) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL2094483 0.72 CYP2A6 (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL2093127 0.72 PARP1 (0.36) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL2090672 0.72 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EGAAMAPT

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 MEN1 3295/4885KMT2A 4267/4885ALDH1A1 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.