SCHEMBL1887311

SCHEMBL1887311

Cc1cc(C)c(-[n+]2ccn(CCCS(=O)(=O)[O-])c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PON1 P27169 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ RAPGEF4 Q8WZA2 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
SCHEMBL20516566 0.81 PON1 (0.34) PON1MAPTHTT
SCHEMBL23698451 0.80 PON1 (0.46) PON1MAPTHTT
Bromide SCHEMBL1882253 0.79 PON1 (0.46) PON1MAPTHTT
SCHEMBL21834759 0.77 NPC1 (0.51) KDM4EPON1LMNAMAPTHTT
SCHEMBL23698569 0.77 NPC1 (0.51) KDM4EPON1LMNAMAPTHTT
SCHEMBL21834756 0.77 NPC1 (0.51) KDM4EPON1LMNAMAPTHTT
SCHEMBL23698417 0.77 NPC1 (0.51) KDM4EPON1LMNAMAPTHTT
SCHEMBL23698381 0.77 NPC1 (0.51) KDM4EPON1LMNAMAPTHTT
Bromide SCHEMBL1882151 0.77 NPC1 (0.51) KDM4EALDH1A1PON1LMNAMAPT
SCHEMBL28544070 0.77 NPC1 (0.51) KDM4EPON1LMNAMAPTHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 — — EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 — — US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 — — US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 — — EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 — — WO 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 L3MBTL1 2900/4885KDM4E 4534/4885ALDH1A1 2684/4885

“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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