SCHEMBL9998464

SCHEMBL9998464

CN1/C(=C/C=C/C=C/C2=[N+](C)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
XBP1 P17861 1/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46
NCOA2 Q15596 1/20 0.46

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
SCHEMBL13496725 1.00 HTT (0.46) HTTMEN1KMT2ALMNAMAPT
SCHEMBL14867811 0.94 HTT (0.49) HTTMEN1KMT2ALMNAMAPT
SCHEMBL14945226 0.93 HTT (0.54) HTTMEN1KMT2ALMNAMAPT
SCHEMBL1709062 0.91 HTT (0.50) HTTMEN1KMT2ALMNAMAPT
SCHEMBL13496733 0.90 MEN1 (0.46) HTTMEN1KMT2ALMNAMAPT
SCHEMBL15483813 0.87 MEN1 (0.44) HTTMEN1KMT2ALMNAMAPT
SCHEMBL19662368 0.87 FOLH1 (0.48) HTTMEN1KMT2ALMNAMAPT
SCHEMBL16975631 0.86 L3MBTL1 (0.44) HTTMEN1KMT2ALMNAMAPT
SCHEMBL13496729 0.86 MEN1 (0.49) HTTMEN1KMT2ALMNAMAPT
SCHEMBL14526033 0.85 LMNA (0.50) HTTMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163471-B2 Reagent for sample analysis, kit for sample analysis and method for sample analysis SYSMEX CORPORATION (JP) 2012-04-24 US disclosed
US-8101414-B2 Reagent for sample analysis, reagent kit for sample analysis and method for sample analysis SYSMEX CORPORATION (JP) 2012-01-24 US disclosed
US-20080318255-A1 Fluorescent Labeled Sphingosines BILLICH ANDREAS 2008-12-25 US disclosed
US-20070298408-A1 REAGENT FOR SAMPLE ANALYSIS, REAGENT KIT FOR SAMPLE ANALYSIS AND METHOD FOR SAMPLE ANALYSIS SYSMEX CORPORATION (JP) 2007-12-27 US disclosed
US-20070287145-A1 Reagent for sample analysis, kit for sample analysis and method for sample analysis SYSMEX CORPORATION (JP) 2007-12-13 US disclosed
US-20070287145-A1 Reagent for sample analysis, kit for sample analysis and method for sample analysis SYSMEX CORPORATION (JP) 2007-12-13 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-20080318255-A1 Fluorescent Labeled Sphingosines SPHK1, SPHK2, SGPL1 HTT 4773/4885MEN1 4088/4885KMT2A 3678/4885

“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.