SCHEMBL1659883

SCHEMBL1659883

CCn1[nH]c(-c2cccc(C#N)c2)cc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 2/20 0.43
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
PGR P06401 4/20 0.41
BRD4 O60885 1/20 0.41
TYMP P19971 1/20 0.39
XDH P47989 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHEK1 O14757 1/20 0.39
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL23399596 0.80 MEN1 (0.52) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL1659909 0.79 XDH (0.43) IDO1PGRBRD4TYMPXDH
SCHEMBL23401624 0.79 MEN1 (0.71) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL23400223 0.71 MEN1 (0.53) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL11782364 0.69 KDM4E (0.73) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL23401742 0.69 MEN1 (0.61) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL6903931 0.68 MAPT (0.56) KDM4EMAPTMEN1KMT2AIDO1
SCHEMBL31468343 0.67 ADORA2A (0.40) KDM4EIDO1XDH
SCHEMBL23401315 0.67 MEN1 (0.82) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL2154026 0.67 CLK4 (0.65) IDO1PGRXDHCLK4GABRG2

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
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP KDM4E 339/4885MAPT 191/4885MEN1 2290/4885

“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.