SCHEMBL13102498

SCHEMBL13102498

COc1ccc(-c2cc(CCC[N+](C)(C)C)c3n2[B-](F)(F)[N+]2=C(CCC(=O)NC(CS(=O)(=O)O)C(=O)NCCCCC(=O)NCCSSc4ccccn4)C=C(C)C2=C3)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL13102568 0.91 HTR3A (0.32) HTR3AMEN1KMT2A
SCHEMBL13102525 0.90 SIRT3 (0.30)
SCHEMBL13102520 0.90 CHRM1 (0.30)
SCHEMBL13103210 0.88 HTR3A (0.32) HTR3A
SCHEMBL13102538 0.83
SCHEMBL13103094 0.83 HTR3A (0.31) HTR3A
SCHEMBL13102551 0.81 CHRM1 (0.31)
SCHEMBL13102502 0.80 LPAR3 (0.32)
SCHEMBL13102310 0.79 HRH1 (0.31)
SCHEMBL9908167 0.79 PRSS1 (0.31)

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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF HTR3A 4583/4885MEN1 4213/4885KMT2A 3873/4885

“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.