SCHEMBL3467416

SCHEMBL3467416

O=[N+]([O-])c1cn2c(n1)OCC(OCc1ccc(CN3CCNCC3)cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.65
CXCR4 P61073 8/20 0.35
KCNJ1 P48048 2/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2C P18825 1/20 0.34
CCR2 P41597 1/20 0.34
CXCL12 P48061 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
KHK P50053 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 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
SCHEMBL3466864 0.89 CHRM1 (0.65) CHRM1KCNJ1KCNH2HRH3ALDH1A1
SCHEMBL4795500 0.88 CHRM1 (0.60) CHRM1KCNJ1KCNH2SIGMAR1ALDH1A1
SCHEMBL4781394 0.87 CHRM1 (0.61) CHRM1
SCHEMBL3187077 0.85 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL3187069 0.85 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL3194998 0.83 CHRM1 (0.73) CHRM1KCNH2MEN1KMT2ASIGMAR1
SCHEMBL509156 0.83 CHRM1 (0.73) CHRM1KCNH2MEN1KMT2ASIGMAR1
SCHEMBL508705 0.83 CHRM1 (0.73) CHRM1KCNH2
SCHEMBL29808816 0.83 CHRM1 (0.73) CHRM1KCNH2MEN1KMT2ASIGMAR1
SCHEMBL14004011 0.83 CHRM1 (0.73) CHRM1KCNH2MEN1KMT2ASIGMAR1

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 4498/4885CXCR4 3860/4885KCNJ1 2904/4885

“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.