SCHEMBL16865127

SCHEMBL16865127

C[n+]1c(/C=C2\C=CN(CCCS(=O)(=O)O)c3ccccc32)sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ POLB P06746 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ BLM P54132 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ GAA P10253 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ SNCA P37840 2/20 0.33

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 0.97 MAPT (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL16865119 0.91 MEN1 (0.33) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13052498 0.89 ALDH1A1 (0.37) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL10023161 0.87 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17903532 0.86 MAPT (0.40) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17903510 0.86 MAPT (0.40) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL12994306 0.84 MAPT (0.51) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL347455 0.84 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13646003 0.84 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL11949226 0.84 MAPT (0.41) MAPTHTTSMN1; SMN2MEN1KMT2A

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 MAPT 2181/4885HTT 211/4885SMN1; SMN2 698/4885

“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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