SCHEMBL2296846

SCHEMBL2296846

O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NCc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
NR3C1 P04150 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3679368 0.92 NAMPT (0.39) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2292040 0.89 NPC1 (0.49) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2292814 0.87 ALDH1A1 (0.46) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2295296 0.85 NAMPT (0.48) KMT2ALMNAGAAALDH1A1KDM4E
SCHEMBL2297393 0.84 LMNA (0.52) KMT2ALMNAGAAALDH1A1SMN1; SMN2
SCHEMBL2293920 0.83 NAMPT (0.51) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL2292597 0.83 KMT2A (0.46) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2294367 0.83 KMT2A (0.46) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2291154 0.83 MEN1 (0.50) KMT2ALMNAGAAALDH1A1MAPT
SCHEMBL2293411 0.82 KMT2A (0.44) KMT2ALMNAGAAALDH1A1MAPT

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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S KMT2A 2564/4885LMNA 2476/4885GAA 3413/4885

“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.