Sugi Predict

Sugi Predict / Compounds / SCHEMBL16624948

SCHEMBL16624948

SCHEMBL16624948

C[C@]1(COc2ccccc2-n2cc(COc3ccc(OC(F)(F)F)cc3)nn2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.71
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ CHRM1 P11229 1/20 0.42
▸ RXRA P19793 5/20 0.39
▸ GRIN1 Q05586 5/20 0.39
▸ GRIN2B Q13224 5/20 0.39
▸ CACNA1C Q13936 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ CYP19A1 P11511 3/20 0.36
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL16625051 0.93 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4RXRA
SCHEMBL16624972 0.93 KCNH2 (0.58) KCNH2PTGS1SLC6A2SLC6A4RXRA
SCHEMBL16625039 0.90 KCNH2 (0.69) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL16625037 0.89 KCNH2 (0.79) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL16624885 0.87 KCNH2 (0.53) KCNH2PTGS1SLC6A2SLC6A4RXRA
SCHEMBL16624963 0.87 KCNH2 (0.73) KCNH2PTGS1SLC6A2SLC6A4RXRA
SCHEMBL18031094 0.85 KCNH2 (0.49) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543029 0.84 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5543023 0.84 KCNH2 (1.00) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL19518614 0.84 KCNH2 (0.71) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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 6 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 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.