SCHEMBL13758232

SCHEMBL13758232

C[n+]1ccn(CCCC(F)=C(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
HSP90AA1 P07900 2/20 0.53
KMT2A Q03164 2/20 0.53
APAF1 O14727 1/20 0.53
NPC1 O15118 1/20 0.53
PLA2G1B P04054 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
FDPS P14324 2/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL3629065 0.83 FDPS (0.41) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL9927858 0.79 SMN1; SMN2 (0.77) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL12220251 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Bromide SCHEMBL29479434 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL12220249 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Bromide SCHEMBL14765117 0.77 SMN1; SMN2 (0.74) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL14499207 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL12220228 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
SCHEMBL12220261 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1
Iodide SCHEMBL2530883 0.77 SMN1; SMN2 (0.74) SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576242-B2 N-Ethylpyridinium bis(pentafluoroethyl)phosphinate; reacting tris(perfluoroalkyl)phosphine oxide is reacted with an alcohol and an organic base; ionic liquids MERCK PATENT GMBH (DE) 2009-08-18 US disclosed
US-20070128515-A1 Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions MERCK PATENT GMBH (DE) 2007-06-07 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-20070128515-A1 Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions PHOSPHO1, PFAS, PFKFB1 SMN1; SMN2 4516/4885MEN1 2001/4885HSP90AA1 4674/4885

“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.