SCHEMBL5551583

SCHEMBL5551583

N#[N+]c1ccccc1[N+]#N

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL9816857 0.83 MEN1 (0.33) ALOX12
SCHEMBL9844846 0.78
SCHEMBL11148616 0.78
SCHEMBL4661697 0.78
SCHEMBL6449318 0.78
SCHEMBL972024 0.78
SCHEMBL8595516 0.78
SCHEMBL725697 0.78
SCHEMBL11807036 0.76 CYP3A4 (0.45)
Fluoride Ion SCHEMBL11601744 0.76 TSHR (0.45) CYP2A6ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208139-B2 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain SCHERING AG (DE) 2007-04-24 US disclosed
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
US-6855309-B2 For use in diagnostics and therapy SCHERING, AG (DE) 2005-02-15 US disclosed
US-20030232017-A1 For use in diagnostics and therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
US-6576222-B2 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AG (DE) 2002-06-06 US disclosed
US-6299859-B1 ADMINISTERING CONTRAST AGENT COMPRISING CASCADE POLYMER COMPLEX AND NUCLEAR MAGNETIC RESONANCE IMAGING TISSUES FOR DIFFERENTIATING ISCHEMIC AND/OR INFRACTED TISSUE FROM NORMAL TISSUES SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6193950-B1 FOR DIAGNOSIS AND THERAPY SCHERING AG (DE) 2001-02-27 US disclosed
US-6183724-B1 ADMINISTERING A CONTRAST AGENT FOR NMR IMAGING THE BLOOD VESSELS, SIZE LARGE ENOUGH FOR ITS RETENTION IN THE BLOOD VESSELS AND SMALL ENOUGH FOR ITS EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6054117-A NUCLEAR MAGNETIC RESONANCE CONTRAST MEDIA FOR DIAGNOSTICS AND THERAPY; PHYSIOLOGICALLY ACCEPTABLE EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0357622-A1 SUBSTITUTED COMPLEX-FORMING SUBSTANCES, COMPLEXES AND COMPLEX SALTS, PROCESS FOR MANUFACTURE THEREOF AND PHARMACEUTICAL AGENTS WHICH CONTAIN THEM SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed
EP-0355097-A1 SUBSTITUTED CYCLIC COMPLEX-FORMING SUBSTANCES, COMPLEXES AND COMPLEX SALTS, PROCESS FOR MANUFACTURING SAME, AND PHARMACEUTICAL AGENTS WHICH CONTAIN THEM SCHERING AKTIENGESELLSCHAFT (DE) 1990-02-28 EP disclosed
EP-0331616-A2 Polymer-bonded complexe builders, their complexes, process for their preparation and pharmaceutical agents containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-06 EP disclosed
EP-0305320-A2 Multinucleic substituted complexants, complexes and complex salts, process for their preparation and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-01 EP disclosed
WO-1988008422-A1 SUBSTITUTED CYCLIC COMPLEX-FORMING SUBSTANCES, COMPLEXES AND COMPLEX SALTS, PROCESS FOR MANUFACTURING SAME, AND PHARMACEUTICAL AGENTS WHICH CONTAIN THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-11-03 WO disclosed
WO-1988007521-A1 SUBSTITUTED COMPLEX-FORMING SUBSTANCES, COMPLEXES AND COMPLEX SALTS, PROCESS FOR MANUFACTURE THEREOF AND PHARMACEUTICAL AGENTS WHICH CONTAIN THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-06 WO disclosed
EP-0277088-A2 Polymer complexes, process for their preparation and pharmaceutical compounds containing them SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 EP disclosed
EP-0255471-A1 1,4,7,10-Tetraazacyclododecane-derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-02-03 EP disclosed
EP-0250358-A2 Novel complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1987-12-23 EP disclosed
US-3966397-A Dyeing keratinous fibers LEVER BROTHERS COMPANY (US) 1976-06-29 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-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease CAD, APOB, SLC7A1 CYP2A6 4844/4885ALOX12 1563/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT CYP2A6 4677/4885ALOX12 3737/4885
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain FABP7, SLC1A3, SLC43A1 CYP2A6 4696/4885ALOX12 1976/4885

“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.