SCHEMBL5535709

SCHEMBL5535709

[c]1ccc(CCNc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.70
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
F2 P00734 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2B Q13224 1/20 0.43
KCNH3 Q9ULD8 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM1A O60341 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL5544020 0.92 L3MBTL1 (0.70) L3MBTL1MAPTALDH1A1F2KCNH2
SCHEMBL5543723 0.89 ALDH1A1 (0.57) L3MBTL1MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL88597 0.85 L3MBTL1 (0.95) L3MBTL1MAPTALDH1A1F2KCNH2
SCHEMBL21186859 0.85 L3MBTL1 (0.95) L3MBTL1MAPTALDH1A1F2KCNH2
SCHEMBL10055000 0.85 L3MBTL1 (0.86) L3MBTL1MAPTALDH1A1F2KCNH2
SCHEMBL24375975 0.85 L3MBTL1 (0.95) L3MBTL1MAPTALDH1A1F2KCNH2
Hydrochloric Acid SCHEMBL8746161 0.83 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1F2KCNH2
SCHEMBL6555806 0.82 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1TAAR1LMNA
SCHEMBL3246568 0.81 GPR84 (0.46) L3MBTL1MAPTNPC1RAB9ATAAR1
SCHEMBL4827710 0.81 L3MBTL1 (0.55) L3MBTL1MAPTALDH1A1SIGMAR1

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
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
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 L3MBTL1 1931/4885MAPT 4117/4885ALDH1A1 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.