SCHEMBL20130241

SCHEMBL20130241

[N-]=[N+]=NCCCSCCC(=O)NC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL20130240 0.76 HRH3 (0.43) HRH3
SCHEMBL8377574 0.74 HRH3 (0.59) HRH3
SCHEMBL14157744 0.74 HRH3 (0.59) HRH3
SCHEMBL20130270 0.73 HRH3 (0.49) HRH3
SCHEMBL29131548 0.72 CA2 (0.34) HRH3
SCHEMBL10024623 0.69 HRH3 (0.39) HRH3
SCHEMBL20130237 0.68 HRH3 (0.41) HRH3
SCHEMBL17523104 0.67 HRH3 (0.32) HRH3
SCHEMBL21795201 0.67 HRH3 (0.61) HRH3
SCHEMBL8684475 0.67 HRH3 (0.50) HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-05-10 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 (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-20180126011-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS DBI, CDIPT, DGKI HRH3 4522/4885

“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.