SCHEMBL4186077

SCHEMBL4186077

N#Cc1ccc(Oc2ccc(F)cc2F)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
SLC22A12 Q96S37 12/20 0.52
KCNH2 Q12809 4/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
SLC22A11 Q9NSA0 1/20 0.52
HTR2A P28223 3/20 0.48
SLC6A4 P31645 3/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSPB1 P04792 1/20 0.44

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
SCHEMBL5505201 0.87 AR (0.58) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL4181443 0.86 AR (0.72) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL4182051 0.85 AR (0.59) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL5837296 0.84 SLC22A12 (0.57) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL4171343 0.83 AR (0.59) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL14663667 0.82 AR (0.52) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL14662245 0.82 AR (0.50) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL4178611 0.80 AR (1.00) AR
SCHEMBL13890551 0.78 AR (0.75) ARSLC22A12KCNH2CYP2C19CYP3A4
SCHEMBL753907 0.78 AR (0.75) ARSLC22A12KCNH2CYP2C19CYP3A4

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-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
US-4029493-A Substituted phenoxybenzonitriles as herbicides MOBIL OIL CORPORATION (US) 1977-06-14 US 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 1/4885SLC22A12 3958/4885KCNH2 4355/4885

“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.