SCHEMBL1963697

SCHEMBL1963697

CC(C)Oc1ccc(C#N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.54
CSNK2A1 P68400 2/20 0.51
RORC P51449 1/20 0.46
SLC6A4 P31645 2/20 0.44
KCNH2 Q12809 2/20 0.44
SLC6A3 Q01959 1/20 0.44
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.42
NR3C1 P04150 2/20 0.42
FFAR1 O14842 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
PDE5A O76074 1/20 0.41
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL21436475 0.86 KCNH2 (0.43) ARCSNK2A1RORCSLC6A4KCNH2
SCHEMBL3743038 0.85 AR (0.48) ARCSNK2A1SLC6A4KCNH2SLC6A3
SCHEMBL3751204 0.83 AR (0.49) ARCSNK2A1SLC6A4KCNH2SLC6A3
SCHEMBL2152320 0.82 AR (0.48) ARCSNK2A1SLC6A4KCNH2SLC6A3
SCHEMBL1796285 0.82 RORC (0.52) ARRORCSLC6A4KCNH2SLC6A3
SCHEMBL16951455 0.82 CSNK2A1 (0.51) ARCSNK2A1RORCS1PR1S1PR3
SCHEMBL1964742 0.81 AR (0.54) ARSLC6A4KCNH2SLC6A3NR3C1
SCHEMBL4187522 0.81 RORC (0.54) ARRORCSLC6A4KCNH2SLC6A3
SCHEMBL3752258 0.81 RORC (0.54) ARRORCSLC6A4KCNH2SLC6A3
SCHEMBL4197188 0.81 RORC (0.54) ARRORCSLC6A4KCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
CN-102762102-A Novel oxadiazole compounds ABBOTT LAB 2012-10-31 CN disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
CN-101562977-A Novel oxadiazole compounds ABBOTT LAB (US) 2009-10-21 CN disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 AR 2563/4885CSNK2A1 2864/4885RORC 173/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 AR 2563/4885CSNK2A1 2864/4885RORC 173/4885

“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.