SCHEMBL3301378

SCHEMBL3301378

O=[C]NCc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
METAP2 P50579 3/20 0.35
AURKA O14965 2/20 0.33
CDK2 P24941 2/20 0.32
ROCK2 O75116 2/20 0.32
CDC7 O00311 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
GSK3B P49841 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
DAO P14920 1/20 0.32
DBH P09172 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CCNE2 O96020 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
SCHEMBL5540242 0.80 CES2 (0.33) AURKACES2CES1RPS6KB1
SCHEMBL3302549 0.79 TAAR1 (0.46) IDO1
SCHEMBL1486307 0.77 LMNA (0.47) IDO1KMT2A
SCHEMBL3307124 0.73 TACR1 (0.38) IDO1DAODBHMEN1KMT2A
SCHEMBL5214041 0.73 PGK1 (0.34) KMT2ARPS6KB1
SCHEMBL3304764 0.72 KDM1A (0.41) AURKAPIM1DAOMEN1KMT2A
SCHEMBL5539082 0.72 MTOR (0.45) IDO1DAOCES2
SCHEMBL25377753 0.72 LMNA (0.44) IDO1METAP2DBHMEN1KMT2A
SCHEMBL5536900 0.70 MAPT (0.43) CLK4
SCHEMBL3304922 0.69 MMP13 (0.49) DAO

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 10 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 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
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 US 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 (3 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 IDO1 3181/4885METAP2 4595/4885AURKA 1846/4885
US-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B IDO1 3432/4885METAP2 820/4885AURKA 2425/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 IDO1 1489/4885METAP2 420/4885AURKA 4397/4885

“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.