SCHEMBL4183157

SCHEMBL4183157

COc1ccccc1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.73
ESRRA P11474 1/20 0.53
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 3/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A2 P23975 2/20 0.45
PDE5A O76074 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TTR P02766 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14861411 0.89 AR (0.71) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4175734 0.87 AR (0.59) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4184976 0.86 AR (0.62) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4182930 0.86 AR (0.62) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL29687043 0.85 AR (0.58) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL524339 0.85 AR (0.58) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4168825 0.84 AR (1.00) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL4179847 0.84 AR (0.68) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL3365226 0.83 SLC6A4 (0.64) ARESRRASLC6A4SLC6A3KCNH2
SCHEMBL5502088 0.83 AR (0.59) ARESRRASLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US claimed
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP claimed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO claimed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
US-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US disclosed
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP disclosed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 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-20090105349-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885ESRRA 13/4885SLC6A4 1384/4885

“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.