SCHEMBL1992347

SCHEMBL1992347

CCCC[n+]1ccn(C)c1.O=S(=O)([O-])CCCCF

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.33
EIF4H Q15056 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 5/20 0.32
MAPT P10636 4/20 0.32
HTT P42858 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
BLM P54132 1/20 0.32
HPGD P15428 2/20 0.32
APAF1 O14727 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
EPHX2 P34913 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
SCHEMBL4023086 0.91 MEN1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL28143118 0.91 MEN1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL4266264 0.88
SCHEMBL1111699 0.88 GMNN (0.30) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7742084 0.88 KDM4E (0.37) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL1111608 0.87 HTT (0.34) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL4363080 0.86 PABPC1 (0.39) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL28652452 0.86 KDM4E (0.37) PABPC1ALDH1A1KDM4EMAPTHTT
SCHEMBL1111603 0.85 THRA (0.33) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL28673400 0.84 ALDH1A1 (0.36) PABPC1ALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP disclosed
US-20110152537-A1 IONIC LIQUIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 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-20110152537-A1 IONIC LIQUIDS HCN3, CHRNA3, CHRM3 PABPC1 4560/4885EIF4H 4418/4885CTDSP1 2321/4885

“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.