SCHEMBL16865119

SCHEMBL16865119

C[n+]1c(C=C2C=CN(CCC[N+](C)(C)CCCCS(=O)(=O)O)c3ccccc32)sc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CHRM2 P08172 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL13052517 0.92 MAPT (0.39) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL16865127 0.91 MAPT (0.37) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL16865136 0.90 HTT (0.35) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL3786410 0.90 MAPT (0.38) MEN1KMT2AMAPTHTTSMN1; SMN2
Iodide SCHEMBL2682814 0.89 MAPT (0.39) MEN1KMT2AMAPTHTTSMN1; SMN2
Iodide SCHEMBL29072731 0.88 MAPT (0.39) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL3944198 0.87 MAPT (0.36) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL3944197 0.87 MAPT (0.36) MEN1KMT2AMAPTHTTSMN1; SMN2
Iodide SCHEMBL5918788 0.86 MAPT (0.38) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL13983891 0.86 MAPT (0.36) MEN1KMT2AMAPTHTTSMN1; SMN2

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-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY BIOTIUM, INC. 2015-07-02 — — 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-20150185182-A1 NUCLEIC ACID BINDING DYES WITH IMPROVED SAFETY POLRMT, POLI, EWSR1 MEN1 2653/4885KMT2A 2294/4885MAPT 2181/4885

“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.

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