SCHEMBL3466816

SCHEMBL3466816

CC1(COc2ccc(N3CCNCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.68
SLC6A4 P31645 2/20 0.68
PTGS1 P23219 1/20 0.68
SLC6A2 P23975 1/20 0.68
ADRB1 P08588 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
MAPT P10636 6/20 0.39
HTR6 P50406 3/20 0.37
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14562855 1.00 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2ADRB1
Hydrochloric Acid SCHEMBL5539596 0.99 KCNH2 (0.67) KCNH2SLC6A4PTGS1SLC6A2ADRB1
Hydrochloric Acid SCHEMBL5539600 0.99 KCNH2 (0.67) KCNH2SLC6A4PTGS1SLC6A2ADRB1
SCHEMBL4777549 0.90 PTGS1 (0.58) KCNH2SLC6A4PTGS1SLC6A2ADRB1
SCHEMBL5547591 0.89 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL5546516 0.89 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL2094105 0.89 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL2094108 0.89 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL5542442 0.89 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2CACNA1C
SCHEMBL5542436 0.89 KCNH2 (0.68) KCNH2SLC6A4PTGS1SLC6A2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7678791-B2 Nitroheteroaryl-containing rifamycin derivatives CUMBRE IP VENTURES, L.P. (US) 2010-03-16 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 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-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 KCNH2 3167/4885SLC6A4 2333/4885PTGS1 729/4885

“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.