SCHEMBL3772284

SCHEMBL3772284

Cc1ncc([N+](=O)[O-])n1CCOC(=O)C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.73
ALDH1A1 P00352 4/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 2/20 0.60
EGFR P00533 9/20 0.59
ERBB2 P04626 9/20 0.59
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
GUSB P08236 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL16151836 0.85 GLA (0.78) GLAALDH1A1LMNATHRBTSHR
SCHEMBL677158 0.85 GLA (0.78) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701605 0.84 GLA (0.76) GLAALDH1A1LMNATHRBTSHR
SCHEMBL5143254 0.84 GLA (0.76) GLAALDH1A1LMNATHRBTSHR
Bamnidazole SCHEMBL635607 0.84 GLA (1.00) GLAALDH1A1LMNATHRBTSHR
SCHEMBL3777173 0.82 GLA (0.73) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9702344 0.82 GLA (0.73) GLAALDH1A1LMNATHRBTSHR
SCHEMBL10253222 0.81 GLA (0.64) GLAALDH1A1LMNATHRBTSHR
SCHEMBL11853645 0.81 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701202 0.81 GLA (0.71) GLAALDH1A1LMNATHRBTSHR

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-20100317707-A1 Oligomer-Nitroimidazole Anti-Infective Conjugates NEKTAR THERAPEUTICS (US) 2010-12-16 US claimed
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

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 GLA 4241/4885ALDH1A1 3342/4885LMNA 4298/4885
US-20100317707-A1 Oligomer-Nitroimidazole Anti-Infective Conjugates NOD2, NOD1, NEDD8 GLA 4268/4885ALDH1A1 3411/4885LMNA 4282/4885

“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.