SCHEMBL16618213

SCHEMBL16618213

C[C@]1(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.41
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL16618216 0.93 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16618227 0.92 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624971 0.89 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16618226 0.88 PTGS1 (0.62) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624970 0.87 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624938 0.86 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624973 0.85 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624975 0.84 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL16624974 0.84 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL14801643 0.82 KCNH2 (0.80) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 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
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.