SCHEMBL677158

SCHEMBL677158

CC(=O)OCCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.78
ALDH1A1 P00352 4/20 0.65
LMNA P02545 1/20 0.65
THRB P10828 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
MAPT P10636 2/20 0.64
EGFR P00533 9/20 0.63
ERBB2 P04626 9/20 0.63
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
GUSB P08236 1/20 0.61
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

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 0.89 GLA (0.78) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701605 0.88 GLA (0.76) GLAALDH1A1LMNATHRBTSHR
Bamnidazole SCHEMBL635607 0.88 GLA (1.00) GLAALDH1A1LMNATHRBTSHR
SCHEMBL5143254 0.88 GLA (0.76) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9702344 0.85 GLA (0.73) GLAALDH1A1LMNATHRBTSHR
SCHEMBL3772284 0.85 GLA (0.73) GLAALDH1A1LMNATHRBTSHR
SCHEMBL3777173 0.85 GLA (0.73) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701202 0.84 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL9701341 0.84 GLA (0.71) GLAALDH1A1LMNATHRBTSHR
SCHEMBL11853645 0.84 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 34 patents — showing the first 20. 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-20250032455-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2025-01-30 US disclosed
US-12171748-B2 Nitroimidazole formulations IRP Health Pty Ltd (AU) 2024-12-24 US disclosed
CN-115785185-B Bile acid-metronidazole conjugate and application thereof 华南理工大学 2024-07-09 CN disclosed
WO-2024120184-A1 BILE ACID-METRONIDAZOLE CONJUGATE AND USE THEREOF 华南理工大学 2024-06-13 WO disclosed
CN-115785185-A Bile acid-metronidazole conjugate and application thereof 华南理工大学 2023-03-14 CN disclosed
CN-115175926-A Activatable cytokine polypeptides and methods of use thereof 狼人治疗公司 2022-10-11 CN disclosed
CN-113219045-B Composite nano material, preparation method and application thereof 山东农业大学 2022-03-29 CN disclosed
CN-113219045-A Composite nano material, preparation method and application thereof 山东农业大学 2021-08-06 CN disclosed
US-20210220335-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-07-22 US disclosed
US-20100048645-A1 Solubilizing of metronidazole Galderma Holding SA (CH) 2010-02-25 US disclosed
US-20090163568-A1 AVERMECTIN/METRONIDAZOLE COMPOSITIONS FOR TREATING AFFLICTIONS OF THE SKIN, E.G., ROSACEA GALDERMA S.A. (CH) 2009-06-25 US disclosed
US-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications MARTON MILANKOVITS 2009-05-14 US disclosed
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications MILANKOVITS MARTON 2009-03-19 US disclosed
US-20080194664-A1 Avermectin/metronidazole compositions for treating afflictions of the skin, e.g., rosacea GALDERMA S.A. (CH) 2008-08-14 US disclosed
US-20080161375-A1 Solubilizing of metronidazole GALDERMA S.A. (CH) 2008-07-03 US disclosed
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 US disclosed
US-20050208152-A1 Pharmaceutical compositions primarily for the treatment and prevention of genitourinary infections and their extragenital complications MILANKOVITS MARTON 2005-09-22 US disclosed
WO-1992010502-A1 HETEROCYCLIC CARBOXYLIC ESTERS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF GASTRO-INTESTINAL MEDICINES BROCADES PHARMA B.V. (NL) 1992-06-25 WO disclosed
EP-0490450-A1 Heterocyclic carboxylic esters, methods for their preparation and their use for the preparation of gastrointestinal medicines YAMANOUCHI EUROPE B.V. (NL) 1992-06-17 EP 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 (6 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-20210220335-A1 NITROIMIDAZOLE FORMULATIONS PHB1, COX5B, CYP3A5 GLA 4466/4885ALDH1A1 3471/4885LMNA 3271/4885
US-20080103110-A1 Compounds ATIC, CDA, PAICS GLA 2892/4885ALDH1A1 941/4885LMNA 2537/4885
US-12171748-B2 Nitroimidazole formulations PHB1, COX5B, CYP3A5 GLA 4466/4885ALDH1A1 3471/4885LMNA 3271/4885
US-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications SOD1, OAT, ELANE GLA 67/4885ALDH1A1 1707/4885LMNA 1038/4885
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications DHFR, FPGS, FOLR1 GLA 947/4885ALDH1A1 4171/4885LMNA 4659/4885
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.