SCHEMBL5540573

SCHEMBL5540573

CN1C[N]c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NSD2 O96028 3/20 0.33
TTR P02766 1/20 0.33
CES1 P23141 1/20 0.33
MAOA P21397 1/20 0.32
ADRA2C P18825 1/20 0.31
LMNA P02545 1/20 0.30
PAX8 Q06710 1/20 0.30
MCL1 Q07820 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6198065 0.78 NR1I2 (0.36) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL7352444 0.75 CYP2D6 (0.36) ALDH1A1GAAMAOAADRA2CLMNA
SCHEMBL3828302 0.74 MEN1 (0.44) ALDH1A1KDM4EMAPTNSD2ADRA2C
SCHEMBL2184502 0.71 BRD4 (0.34)
SCHEMBL4372139 0.70 NSD2 (0.35) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL7013979 0.69 HPGD (0.40) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL28221393 0.68 NSD2 (0.38) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL27718437 0.68 NSD2 (0.34) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL28198653 0.67 NSD2 (0.33) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL14511092 0.66 NSD2 (0.36) ALDH1A1MAPTNSD2MAOAADRA2C

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 4 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
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 355/4885GAA 4165/4885KDM4E 4854/4885

“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.