SCHEMBL5151317

SCHEMBL5151317

[CH2]CCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 2/20 0.55
TNKS O95271 1/20 0.53
PARP1 P09874 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
TEAD3 Q99594 1/20 0.51
SIGMAR1 Q99720 3/20 0.51
TMEM97 Q5BJF2 2/20 0.51
ENPP2 Q13822 1/20 0.51
HTR2A P28223 2/20 0.50

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
SCHEMBL5536999 0.92 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5542172 0.91 NPSR1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL27610472 0.89 NPSR1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5148695 0.88 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL92564 0.87 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5536473 0.86 HRH2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 14 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-15 US disclosed
EP-1673384-A4 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2007-02-07 EP disclosed
EP-1673384-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2006-06-28 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005030135-A2 NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2005-04-07 WO 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 (2 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 4267/4885NPSR1 747/4885
US-20070037821-A1 Nitrosated glutamic acid compounds, compositions and methods of use GLS, NOS2, NOS1 MEN1 1735/4885KMT2A 3342/4885NPSR1 676/4885

“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.