SCHEMBL3466834

SCHEMBL3466834

CC(C)(C)OC(=O)N1CCN(Cc2cccc(COC3COc4nc([N+](=O)[O-])cn4C3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
GLS O94925 2/20 0.41
TBK1 Q9UHD2 5/20 0.39
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
KDM1A O60341 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3466205 0.92 CHRM1 (0.59) CHRM1TBK1TP53THRBMAPT
SCHEMBL3466011 0.83 CHRM1 (0.56) CHRM1MEN1ALDH1A1KMT2A
SCHEMBL3465898 0.82 CHRM1 (0.50) CHRM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL3466812 0.82 CHRM1 (0.50) CHRM1MAPTMEN1ALDH1A1KMT2A
SCHEMBL29800401 0.82 CHRM1 (0.47) CHRM1MAPTALDH1A1
SCHEMBL29800550 0.80 CHRM1 (0.46) CHRM1MAPTALDH1A1
SCHEMBL3467778 0.80 CHRM1 (0.53) CHRM1MEN1KMT2A
SCHEMBL3198529 0.78 CHRM1 (0.63) CHRM1MAPTALDH1A1KMT2A
SCHEMBL3198416 0.78 CHRM1 (0.63) CHRM1MAPTALDH1A1KMT2A
SCHEMBL3195648 0.77 CHRM1 (0.63) CHRM1IDO1MEN1KMT2A

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 4498/4885GLS 482/4885TBK1 1481/4885

“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.