SCHEMBL3304764

SCHEMBL3304764

O=[C]NCc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.37
PIM1 P11309 1/20 0.37
DAO P14920 2/20 0.37
MAOB P27338 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
SSTR3 P32745 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL5536900 0.85 MAPT (0.43) ALDH1A1PPARGMAPTSSTR3
SCHEMBL3301042 0.83 CYP1A2 (0.41) ALDH1A1PIM1MEN1MAPTKMT2A
SCHEMBL3311008 0.83 HDAC3 (0.46) DAOMAOBMEN1MAPTKMT2A
SCHEMBL3304922 0.83 MMP13 (0.49) DAO
SCHEMBL3310953 0.80 PTPN7 (0.49) RPS6KB1
SCHEMBL5540242 0.79 CES2 (0.33) MAOBAURKARPS6KB1RIPK1
SCHEMBL3306701 0.79 MAOB (0.48) KDM1AALDH1A1HTTMAOBMAOA
SCHEMBL3310616 0.79 SMN1; SMN2 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL3310628 0.78 PARP1 (0.44) ALDH1A1HTTMEN1MAPTPABPC1
SCHEMBL1486307 0.77 LMNA (0.47) ALDH1A1HTTMAOBKMT2A

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 KDM1A 4622/4885ALDH1A1 355/4885HTT 4644/4885
US-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B KDM1A 2353/4885ALDH1A1 4052/4885HTT 1754/4885
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 KDM1A 512/4885ALDH1A1 469/4885HTT 3080/4885

“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.