SCHEMBL3777192

SCHEMBL3777192

CCc1ncc([N+](=O)[O-])n1CCO

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPK1 P28482 2/20 0.68
THRB P10828 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
GLA P06280 1/20 0.44
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
CHRM1 P11229 1/20 0.43
CA12 O43570 4/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL10920908 0.87 LMNA (0.67) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11860791 0.85 LMNA (0.54) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11518929 0.84 LMNA (0.48) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11817847 0.84 LMNA (0.63) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11828756 0.84 LMNA (0.63) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11835450 0.84 LMNA (0.48) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11817865 0.84 LMNA (0.63) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11843067 0.84 LMNA (0.63) LMNAALDH1A1MAPK1THRBTSHR
Metronidazole SCHEMBL2670090 0.81 LMNA (0.94) LMNAALDH1A1MAPK1THRBTSHR
SCHEMBL11615313 0.81 LMNA (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317707-A1 Oligomer-Nitroimidazole Anti-Infective Conjugates NEKTAR THERAPEUTICS (US) 2010-12-16 US claimed
WO-2020210175-A1 NITROREDUCTASE-RELEASABLE PRO-DRUGS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-10-15 WO disclosed
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.