SCHEMBL5539401

SCHEMBL5539401

CCc1cccc(CCCNc2cc[c]cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CXCR4 P61073 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35

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
SCHEMBL5541430 0.85 CYP1A2 (0.46) MTNR1AMTNR1BNOS3NOS1MEN1
SCHEMBL5548437 0.84 L3MBTL1 (0.40) CXCR4MEN1KMT2AALDH1A1MAPT
SCHEMBL5535549 0.83 TAAR1 (0.50) NOS3NOS1TAAR1
SCHEMBL5544728 0.83 CYP2D6 (0.39) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL5538844 0.82 TAAR1 (0.50) MEN1KMT2AMAPTTAAR1
SCHEMBL5537341 0.82 TAAR1 (0.49) ALDH1A1MAPTL3MBTL1TAAR1
SCHEMBL5541923 0.82 TAAR1 (0.49) NOS3NOS1MEN1KMT2AALDH1A1
SCHEMBL5542120 0.81 CXCR4 (0.47) NOS1CXCR4MEN1KMT2AALDH1A1
SCHEMBL7007405 0.80 MEN1 (0.42) NOS1MEN1KMT2A
SCHEMBL4827710 0.80 L3MBTL1 (0.55) MEN1KMT2AALDH1A1MAPTL3MBTL1

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 MTNR1A 1560/4885MTNR1B 1562/4885NOS3 214/4885

“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.