SCHEMBL4470811

SCHEMBL4470811

[CH2]Cn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
MAPK1 P28482 2/20 0.66
ALDH1A1 P00352 2/20 0.66
THRB P10828 1/20 0.66
TSHR P16473 1/20 0.66
ATM Q13315 1/20 0.62
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CHRM1 P11229 1/20 0.57
CA12 O43570 4/20 0.55
GLA P06280 1/20 0.55
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.49

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
SCHEMBL7949201 0.84 LMNA (0.68) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL9711175 0.82 MAPK1 (0.76) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28927348 0.82 LMNA (0.76) LMNAMAPK1ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL12004705 0.81 LMNA (0.64) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL681530 0.81 LMNA (0.73) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL28233371 0.80 LMNA (0.94) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL6911811 0.80 LMNA (0.94) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL3466681 0.79 LMNA (0.62) LMNAMAPK1ALDH1A1THRBTSHR
Metronidazole SCHEMBL5313560 0.79 LMNA (1.00) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL4091924 0.79 LMNA (0.71) LMNAMAPK1ALDH1A1THRBTSHR

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283925-A Iminophenazine derivative coupling molecule for treating bacterial infection and application thereof 丹诺医药(苏州)有限公司 2023-06-23 CN claimed
EP-2588461-B1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RES & DEV (FR) 2014-11-05 EP claimed
EP-2588462-B1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RES & DEV (FR) 2014-08-13 EP claimed
EP-2588463-B1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RES & DEV (FR) 2014-08-13 EP claimed
US-8802710-B2 Metronidazole esters for treating rosacea GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-08-12 US claimed
US-20130217740-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-22 US claimed
US-20130158090-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-06-20 US claimed
EP-2588462-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA Galderma Research & Development (FR) 2013-05-08 EP claimed
EP-2588463-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA Galderma Research & Development (FR) 2013-05-08 EP claimed
WO-2012001053-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO claimed
WO-2012001054-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO claimed
US-7608724-B2 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-[(aminocarbonothioyl)amino]-4-oxobutanoate;potententiation; anaerobic/ aerobic microoraganisms; grampositive,gramnegative bacteria; Campylobacter; respiratory system disorders; paraciticides; nontoxic; enzymers/hydrolases/;enzyme inhibitors EMS S.A. (BR) 2009-10-27 US claimed
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP claimed
US-20070072929-A1 Antibacterial and/or antiprotozoal nitromidazole derivative compounds with urease inhibitor activity, process for preparing these compounds and use in pharmaceutical compositions and medicines EMS S.A. (BR) 2007-03-29 US claimed
EP-1685114-A2 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS S.A. (BR) 2006-08-02 EP claimed
WO-2005041853-A2 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS S.A. (BR) 2005-05-12 WO claimed
CN-1081637-C Radiosensitizing diamines and their pharmaceutical preparations UNIV FLORIDA STATE (US) 2002-03-27 CN claimed
CN-116283925-A Iminophenazine derivative coupling molecule for treating bacterial infection and application thereof 丹诺医药(苏州)有限公司 2023-06-23 CN disclosed
EP-0315405-A1 4-phenyl-4-(N-(2-fluorophenyl)amido) piperidine derivatives Ohmeda Pharmaceutical Products Division Inc. (US) 1989-05-10 EP disclosed
US-4791121-A ANALGESICS THE BOC GROUP, INC. (US) 1988-12-13 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 (3 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-20070072929-A1 Antibacterial and/or antiprotozoal nitromidazole derivative compounds with urease inhibitor activity, process for preparing these compounds and use in pharmaceutical compositions and medicines UMPS, PNP, UROD LMNA 1783/4885MAPK1 2526/4885ALDH1A1 2614/4885
US-20130158090-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA CYP2C19, CYP2E1, MDH2 LMNA 3163/4885MAPK1 4296/4885ALDH1A1 48/4885
US-20130217740-A1 METRONIDAZOLE ESTERS FOR TREATING ROSACEA CYP2C19, MDH2, CYP2E1 LMNA 3374/4885MAPK1 4221/4885ALDH1A1 33/4885

“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.