SCHEMBL5425809

SCHEMBL5425809

N#Cc1cc(F)c(OCC(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KIF11 P52732 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 2/20 0.34
SLC6A9 P48067 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL9677946 0.77 SLC6A9 (0.46) MAPTALDH1A1KIF11MEN1KMT2A
SCHEMBL5018947 0.77 TRPV4 (0.38) KDM4EFFAR4SLC6A9KCNH2HRH3
SCHEMBL31294690 0.75 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29176987 0.75 MAPT (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1496766 0.75 MAPT (0.59) MAPTALDH1A1KIF11MEN1KMT2A
SCHEMBL17465569 0.75 MAPT (0.39) MAPTALDH1A1KIF11MEN1KMT2A
SCHEMBL29159716 0.75 KIF11 (0.37) KIF11MEN1KMT2ATRPV4EGLN2
SCHEMBL5426463 0.75 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4667414 0.74 FFAR4 (0.36) MEN1KMT2AFFAR4HRH3EGLN2
SCHEMBL5314384 0.74 FFAR4 (0.36) FFAR4HRH3TRPV4EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625123-A4 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO INC (US) 2007-08-29 EP disclosed
US-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists MERCK & CO., INC. 2006-11-09 US disclosed
EP-1670463-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-06-21 EP disclosed
EP-1625123-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-02-15 EP disclosed
WO-2005032465-A2 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-04-14 WO disclosed
WO-2004103279-A2 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-12-02 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 (2 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-20070043014-A1 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists S1PR3, S1PR1, S1PR5 MAPT 4771/4885ALDH1A1 1046/4885KIF11 3627/4885
US-20060252741-A1 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists S1PR1, S1PR3, S1PR5 MAPT 4712/4885ALDH1A1 754/4885KIF11 3074/4885

“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.