SCHEMBL14801643

SCHEMBL14801643

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

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.80
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A4 P31645 1/20 0.62
CACNA1C Q13936 1/20 0.56
SCN5A Q14524 1/20 0.56
SOS1 Q07889 1/20 0.41
CHRM1 P11229 1/20 0.38
ENPP2 Q13822 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSPB1 P04792 2/20 0.34
PLA2G7 Q13093 2/20 0.34
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 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
SCHEMBL14801644 1.00 KCNH2 (0.80) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228132 0.97 KCNH2 (0.75) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16625078 0.92 KCNH2 (0.69) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL19704657 0.91 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL18031088 0.91 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16624931 0.90 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL19704647 0.90 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227151 0.90 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1227152 0.89 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3195951 0.89 KCNH2 (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576567-A1 NITROIMIDAZOLE DERIVATIVES GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
US-20130078185-A1 NITROIMIDAZOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2013-03-28 US disclosed
US-20130078185-A1 NITROIMIDAZOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2013-03-28 US disclosed
US-20130078185-A1 NITROIMIDAZOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2013-03-28 US disclosed
WO-2011151320-A1 NITROIMIDAZOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2011-12-08 WO disclosed
WO-2011151320-A1 NITROIMIDAZOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2011-12-08 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-20130078185-A1 NITROIMIDAZOLE DERIVATIVES MAVS, MT-ND4, MT-ND5 KCNH2 2939/4885PTGS1 1128/4885SLC6A2 2490/4885

“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.