SCHEMBL3465663

SCHEMBL3465663

O=C(O)COc1ccc(COC2COc3nc([N+](=O)[O-])cn3C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.70
KCNH2 Q12809 4/20 0.37
PLA2G4B P0C869 1/20 0.36
TBXAS1 P24557 2/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK1 P49759 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
AURKA O14965 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL3197866 0.88 CHRM1 (0.67) CHRM1KCNH2PLA2G4BMEN1KMT2A
SCHEMBL3196285 0.88 CHRM1 (0.67) CHRM1KCNH2PLA2G4BMEN1KMT2A
SCHEMBL3467844 0.87 CHRM1 (0.63) CHRM1KCNH2KMT2AALDH1A1KDM4E
SCHEMBL4840823 0.86 CHRM1 (0.69) CHRM1KCNH2PLA2G4BMEN1MAPT
SCHEMBL4778739 0.86 CHRM1 (0.69) CHRM1KCNH2PLA2G4BMEN1MAPT
SCHEMBL14004016 0.86 CHRM1 (0.75) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL30937428 0.85 CHRM1 (0.74) CHRM1KCNH2MEN1MAPTKMT2A
SCHEMBL14004011 0.85 CHRM1 (0.73) CHRM1KCNH2MEN1KMT2AALDH1A1
SCHEMBL29808816 0.85 CHRM1 (0.73) CHRM1KCNH2MEN1KMT2AALDH1A1
SCHEMBL3202010 0.85 CHRM1 (0.58) CHRM1KCNH2MEN1KMT2APTGS1

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 CHRM1 4498/4885KCNH2 3167/4885PLA2G4B 4742/4885

“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.