SCHEMBL3466012

SCHEMBL3466012

O=C1CCN(C(=O)CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 4/20 0.31
CASP6 P55212 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3467844 0.87 CHRM1 (0.63) CHRM1ALDH1A1HTTKCNH2KMT2A
SCHEMBL3202010 0.84 CHRM1 (0.58) CHRM1LMNAALDH1A1KCNH2CASP6
SCHEMBL3202706 0.84 CHRM1 (0.58) CHRM1LMNAALDH1A1KCNH2CASP6
SCHEMBL3465898 0.84 CHRM1 (0.50) CHRM1LMNAALDH1A1MAPTKCNH2
SCHEMBL3466812 0.84 CHRM1 (0.50) CHRM1LMNAALDH1A1MAPTKCNH2
SCHEMBL4887369 0.82 CHRM1 (0.51) CHRM1LMNAALDH1A1MAPTHTT
SCHEMBL4887392 0.82 CHRM1 (0.51) CHRM1LMNAALDH1A1MAPTHTT
SCHEMBL3194265 0.80 CHRM1 (0.56) CHRM1KCNH2
SCHEMBL3194259 0.80 CHRM1 (0.56) CHRM1KCNH2
SCHEMBL4888549 0.79 CHRM1 (0.67) CHRM1LMNAALDH1A1MAPTHTT

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 4498/4885GSTP1 464/4885GSTM2 965/4885

“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.