SCHEMBL3777173

SCHEMBL3777173

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.73
GUSB P08236 1/20 0.61
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 10/20 0.60
ERBB2 P04626 10/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58

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
SCHEMBL9701200 0.85 GLA (0.67) GLAGUSBALDH1A1LMNATHRB
SCHEMBL16151836 0.85 GLA (0.78) GLAGUSBALDH1A1LMNATHRB
SCHEMBL677158 0.85 GLA (0.78) GLAGUSBALDH1A1LMNATHRB
SCHEMBL9702344 0.85 GLA (0.73) GLAGUSBALDH1A1LMNATHRB
SCHEMBL9701605 0.84 GLA (0.76) GLAGUSBALDH1A1LMNATHRB
SCHEMBL5143254 0.84 GLA (0.76) GLAGUSBALDH1A1LMNATHRB
Bamnidazole SCHEMBL635607 0.84 GLA (1.00) GLAGUSBALDH1A1LMNATHRB
SCHEMBL9701202 0.84 GLA (0.71) GLAGUSBALDH1A1LMNATHRB
SCHEMBL9701341 0.84 GLA (0.71) GLAGUSBALDH1A1LMNATHRB
SCHEMBL3772284 0.82 GLA (0.73) GLAGUSBALDH1A1LMNATHRB

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 6 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
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 GLA 4241/4885GUSB 2774/4885ALDH1A1 3342/4885
US-20100317707-A1 Oligomer-Nitroimidazole Anti-Infective Conjugates NOD2, NOD1, NEDD8 GLA 4268/4885GUSB 2811/4885ALDH1A1 3411/4885

“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.