SCHEMBL16618303

SCHEMBL16618303

C[C@]1(COc2ccccc2-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
PTGS2 P35354 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SNCA P37840 1/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33

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
SCHEMBL16624875 0.92 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL18031093 0.91 KCNH2 (0.52) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16625039 0.91 KCNH2 (0.69) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL18031610 0.90 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL20538707 0.89 KCNH2 (0.55) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16625051 0.88 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16618336 0.86 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16624946 0.83 KCNH2 (0.51) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227766 0.81 KCNH2 (0.78) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16624885 0.81 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052503-B1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-B]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-10-24 EP claimed
US-9845330-B2 6-nitro-2,3-dihydroimidazo[2,1-b]oxazoles and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-19 US claimed
US-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 US claimed
EP-3052503-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2016-08-10 EP claimed
WO-2015049693-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-09 WO claimed
EP-3052503-B1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-B]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2018-10-24 EP disclosed
US-9845330-B2 6-nitro-2,3-dihydroimidazo[2,1-b]oxazoles and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-19 US disclosed
US-9845330-B2 6-nitro-2,3-dihydroimidazo[2,1-b]oxazoles and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-19 US disclosed
US-9845330-B2 6-nitro-2,3-dihydroimidazo[2,1-b]oxazoles and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-19 US disclosed
US-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 US disclosed
US-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 US disclosed
WO-2015049693-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-09 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 (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-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF XDH, DHFR, G6PD KCNH2 3211/4885PTGS1 1195/4885SLC6A2 2185/4885

“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.