SCHEMBL3466864

SCHEMBL3466864

O=C1CCN(Cc2ccc(COC3COc4nc([N+](=O)[O-])cn4C3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.65
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KCNJ1 P48048 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
CCR5 P51681 1/20 0.32
SOS1 Q07889 1/20 0.31
KCNH2 Q12809 3/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL3466011 0.91 CHRM1 (0.56) CHRM1ALDH1A1KDM4ETMEM97ACHE
SCHEMBL3467416 0.89 CHRM1 (0.65) CHRM1ALDH1A1LMNAMAPTKCNJ1
SCHEMBL3187069 0.85 CHRM1 (0.73) CHRM1SOS1KCNH2
SCHEMBL3187077 0.85 CHRM1 (0.73) CHRM1SOS1KCNH2
SCHEMBL4795500 0.85 CHRM1 (0.60) CHRM1ALDH1A1LMNAMAPTKCNJ1
SCHEMBL3467844 0.83 CHRM1 (0.63) CHRM1ALDH1A1SMN1; SMN2KDM4EKCNH2
SCHEMBL508705 0.83 CHRM1 (0.73) CHRM1SOS1KCNH2
SCHEMBL3194998 0.83 CHRM1 (0.73) CHRM1ALDH1A1MAPTSMN1; SMN2SOS1
SCHEMBL509156 0.83 CHRM1 (0.73) CHRM1ALDH1A1MAPTSMN1; SMN2SOS1
SCHEMBL29808816 0.83 CHRM1 (0.73) CHRM1ALDH1A1LMNAKCNH2BCHE

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 4498/4885ALDH1A1 1997/4885LMNA 2973/4885

“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.