SCHEMBL2295416

SCHEMBL2295416

O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 6/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.50
XBP1 P17861 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
CASP1 P29466 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
SCHEMBL2357582 0.93 KMT2A (0.48) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2291103 0.92 KMT2A (0.56) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2295174 0.92 LMNA (0.58) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2292780 0.90 KMT2A (0.54) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL12421029 0.90 KMT2A (0.54) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2293660 0.89 ALDH1A1 (0.53) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2298258 0.88 KMT2A (0.51) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2290350 0.88 LMNA (0.53) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL8103247 0.88 LMNA (0.55) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL2292819 0.88 LMNA (0.55) KMT2AMEN1TSHRLMNAALDH1A1

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 2564/4885MEN1 3484/4885TSHR 2852/4885

“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.