SCHEMBL2097133

SCHEMBL2097133

Oc1ccc(OC(F)(F)F)cc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.49
GPR3 P46089 4/20 0.46
WDR5 P61964 1/20 0.42
MAPT P10636 2/20 0.40
GCGR P47871 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
P2RX1 P51575 1/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PIM1 P11309 1/20 0.39
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL365669 0.86 GCGR (0.52) GCGRMEN1HTTRAB9AKMT2A
SCHEMBL7687597 0.86 ALDH1A1 (0.47) APPMAPTGCGRP2RX1MEN1
SCHEMBL20639207 0.85 GPR3 (0.41) APPGPR3WDR5MAPTGCGR
SCHEMBL24445841 0.83 GPR3 (0.48) GPR3WDR5MAPTEPHX2KIF11
SCHEMBL7691093 0.82 APP (0.52) APPKMT2AKCNH2TMEM97SIGMAR1
SCHEMBL20638763 0.82 GCGR (0.43) APPGPR3WDR5GCGRL3MBTL1
SCHEMBL8940653 0.82 ALDH1A1 (0.49) APPMAPTL3MBTL1MEN1HTT
SCHEMBL7691095 0.82 APP (0.43) APPGPR3WDR5GCGRL3MBTL1
SCHEMBL8940652 0.82 L3MBTL1 (0.47) APPMAPTL3MBTL1MEN1KMT2A
SCHEMBL24445818 0.82 WDR5 (0.43) APPGPR3WDR5GCGREPHX2

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 17 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-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1565430-B1 BIGUANIDE DERIVATIVES JACOBUS PHARMA CO INC (US) 2010-02-17 EP disclosed
US-7563792-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2009-07-21 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080176852-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. 2008-07-24 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 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-1565430-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL CO. INC. (US) 2005-08-24 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20040116428-A1 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. 2004-06-17 US disclosed
WO-2004048320-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2004-06-10 WO disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 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 (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 APP 4262/4885GPR3 80/4885WDR5 2342/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 APP 4602/4885GPR3 563/4885WDR5 1784/4885
US-20080176852-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES QDPR, DHODH, GLMN APP 3364/4885GPR3 2395/4885WDR5 3507/4885

“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.