SCHEMBL10036136

SCHEMBL10036136

CC(/C=C1\Sc2ccc(Cl)cc2N1CCCS(=O)(=O)O)=C\c1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ THRB P10828 4/20 0.45
▸ RECQL P46063 4/20 0.45
▸ BLM P54132 3/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ RAD52 P43351 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ PRMT1 Q99873 2/20 0.43

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
Water SCHEMBL7702763 0.99 MAPT (0.44) MAPTMEN1KMT2ATHRBRECQL
Water SCHEMBL7702760 0.99 MAPT (0.44) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL8943182 0.91 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL12270728 0.91 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13588290 0.91 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
Water SCHEMBL9329059 0.90 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL5694877 0.88 MAPT (0.47) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL5694876 0.88 MAPT (0.47) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13528742 0.88 PRMT1 (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13528739 0.87 PRMT1 (0.51) MAPTMEN1KMT2ATHRBRECQL

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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2012-02-09 — — 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-20120035187-A1 ANTI-NEURODEGENERATIVE DISEASE AGENT SNCA, PSEN1, CDR2 MAPT 43/4885MEN1 2218/4885KMT2A 2624/4885

“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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