SCHEMBL16865136

SCHEMBL16865136

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ BLM P54132 2/20 0.31
▸ INSR P06213 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ APP P05067 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
SCHEMBL16865119 0.90 MEN1 (0.33) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL3664041 0.90 MEN1 (0.38) HTTMEN1KMT2AMAPTMAPK1
Iodide SCHEMBL2681957 0.89 MEN1 (0.38) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL3939172 0.86 MEN1 (0.39) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL3939168 0.86 MEN1 (0.39) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL30865826 0.86 MEN1 (0.39) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL6726380 0.86 MEN1 (0.39) HTTMEN1KMT2AMAPTMAPK1
Iodide SCHEMBL2683522 0.85 MEN1 (0.38) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL3934123 0.84 RAB9A (0.38) HTTMEN1KMT2AMAPTMAPK1
SCHEMBL3934125 0.84 RAB9A (0.38) HTTMEN1KMT2AMAPTMAPK1

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 HTT 211/4885MEN1 2653/4885KMT2A 2294/4885

“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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