SCHEMBL3752258

SCHEMBL3752258

CC(Oc1ccc(C#N)cc1Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.54
AR P10275 3/20 0.54
SLC6A4 P31645 3/20 0.43
SCN1A P35498 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN8A Q9UQD0 2/20 0.43
FFAR1 O14842 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
NR3C1 P04150 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE5A O76074 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL4187522 1.00 RORC (0.54) RORCARSLC6A4SCN1ASCN5A
SCHEMBL4197188 1.00 RORC (0.54) RORCARSLC6A4SCN1ASCN5A
SCHEMBL4636598 0.82 AR (0.50) ARSLC6A4FFAR1MRGPRX4SLC6A3
SCHEMBL1963697 0.81 AR (0.54) RORCARSLC6A4FFAR1MRGPRX4
SCHEMBL1964742 0.80 AR (0.54) ARSLC6A4FFAR1MRGPRX4NR3C1
SCHEMBL4636594 0.80 AR (0.51) ARSLC6A4FFAR1MRGPRX4NR3C1
SCHEMBL9617390 0.77 RORC (0.58) RORCSLC6A4SCN1ASCN5ASCN8A
SCHEMBL12173109 0.77 RORC (0.58) RORCSLC6A4SCN1ASCN5ASCN8A
SCHEMBL3751204 0.76 AR (0.49) ARSLC6A4FFAR1MRGPRX4NR3C1
SCHEMBL2152320 0.75 AR (0.48) ARSLC6A4FFAR1MRGPRX4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 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-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG RORC 485/4885AR 1/4885SLC6A4 957/4885

“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.