SCHEMBL3466818

SCHEMBL3466818

CC1(COc2cccc(CN3CCNCC3)c2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.57
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
CHRM3 P20309 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KHK P50053 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2B P41595 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
SCHEMBL3467400 0.90 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3204106 0.81 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801468 0.81 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801467 0.81 KCNH2 (0.76) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3466816 0.81 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14562855 0.81 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
Hydrochloric Acid SCHEMBL5539600 0.80 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
Hydrochloric Acid SCHEMBL5539596 0.80 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL3466162 0.78 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL4827602 0.78 KCNH2 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3167/4885PTGS1 729/4885SLC6A2 1633/4885

“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.