SCHEMBL10024329

SCHEMBL10024329

CCCCN1C=CN(CC(CC(=O)O)(CN2C=CN(CCCC)C2)CN2C=CN(CCCC)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
USP2 O75604 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10024327 0.80 HMGCR (0.30)
Acetic Acid SCHEMBL28296552 0.79 CA2 (0.38) USP2CA2MAPK1
SCHEMBL27839877 0.78 KDM4E (0.39) CA2MAPK1
SCHEMBL329125 0.75 GLB1 (0.38)
Acetic Acid SCHEMBL29199140 0.75 CA2 (0.34) USP2CA2MAPK1
Bicarbonate SCHEMBL29180172 0.74 GPR84 (0.40)
Bicarbonate SCHEMBL28779427 0.73 CA2 (0.33) CA2MAPK1
Propionic Acid SCHEMBL27725688 0.73 FFAR3 (0.36) CA2MAPK1
Trifluoroacetic Acid SCHEMBL2761168 0.73 FAAH (0.34) CA2MAPK1
Bromide SCHEMBL23071102 0.73 GLB1 (0.37)

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-9150515-B2 Imidazolium salts and carbene metal complexes based thereon for use as bioanalytical markers for biomolecules Ernst-Moritz-Arndt-Universität Greifswald (DE) 2015-10-06 US disclosed
US-9150515-B2 Imidazolium salts and carbene metal complexes based thereon for use as bioanalytical markers for biomolecules Ernst-Moritz-Arndt-Universität Greifswald (DE) 2015-10-06 US disclosed
EP-2616446-B1 NEW IMIDAZOLIUM SALTS AND CARBENE METAL COMPLEXES THEREOF FOR USE AS BIOANALYTICAL MARKERS FOR BIOMOLECULES ERNST MORITZ ARNDT UNIVERSITÄT GREIFSWALD (DE) 2015-04-29 EP disclosed
US-20130171071-A1 Novel Imidazolium Salts and Carbene Metal Complexes Based Thereon for Use as Bioanalytical Markers for Biomolecules ERNST-MORITZ-ARNDT-UNIVERSITAT GREIFSWALD (DE) 2013-07-04 US disclosed
US-20130171071-A1 Novel Imidazolium Salts and Carbene Metal Complexes Based Thereon for Use as Bioanalytical Markers for Biomolecules ERNST-MORITZ-ARNDT-UNIVERSITAT GREIFSWALD (DE) 2013-07-04 US disclosed
WO-2012034880-A1 NOVEL IMIDAZOLIUM SALTS AND CARBENE METAL COMPLEXES BASED THEREON FOR USE AS BIOANALYTICAL MARKERS FOR BIOMOLECULES Ernst-Moritz-Arndt-Universität Greifswald (DE) 2012-03-22 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 (1 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-20130171071-A1 Novel Imidazolium Salts and Carbene Metal Complexes Based Thereon for Use as Bioanalytical Markers for Biomolecules MB, COX4I1, CYC1 HSPD1 298/4885BLM 3610/4885HSPE1 258/4885

“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.