Metronidazole

Metronidazole

SCHEMBL3765189

Cc1ncc([N+](=O)[O-])n1CCO.O=C(O)O

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Metronidazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.91
ALDH1A1 P00352 3/20 0.91
MAPK1 P28482 2/20 0.91
THRB P10828 1/20 0.91
TSHR P16473 1/20 0.91
GLA P06280 1/20 0.63
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ATM Q13315 1/20 0.58
CA12 O43570 4/20 0.56
CHRM1 P11229 1/20 0.55
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52

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
Metronidazole SCHEMBL9274611 0.97 LMNA (0.97) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL677157 0.95 LMNA (0.88) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL9481347 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL9482744 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL31108924 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL2221140 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL5313560 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL23042 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL9455119 0.95 LMNA (1.00) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL8675069 0.94 LMNA (0.97) LMNAALDH1A1MAPK1THRBTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233932-B2 Oligomer-nitroimidazole anti-infective conjugates NEKTAR THERAPEUTICS (US) 2016-01-12 US disclosed
US-20140378520-A1 OLIGOMER-NITROIMIDAZOLE ANTI-INFECTIVE CONJUGATES NEKTAR THERAPEUTICS 2014-12-25 US disclosed
US-8853247-B2 Oligomer-nitroimidazole anti-infective conjugates NEKTAR THERAPEUTICS (US) 2014-10-07 US disclosed
US-20100317707-A1 Oligomer-Nitroimidazole Anti-Infective Conjugates NEKTAR THERAPEUTICS (US) 2010-12-16 US disclosed
WO-2009058387-A2 OLIGOMER-NITROIMIDAZOLE ANTI-INFECTIVE CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-05-07 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 (2 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-20140378520-A1 OLIGOMER-NITROIMIDAZOLE ANTI-INFECTIVE CONJUGATES NOD2, NOD1, NEDD8 LMNA 4298/4885ALDH1A1 3342/4885MAPK1 4678/4885
US-20100317707-A1 Oligomer-Nitroimidazole Anti-Infective Conjugates NOD2, NOD1, NEDD8 LMNA 4282/4885ALDH1A1 3411/4885MAPK1 4694/4885

“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.