SCHEMBL4181001

SCHEMBL4181001

Cc1cccc(C)c1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.73
SLC6A4 P31645 2/20 0.47
KCNH2 Q12809 2/20 0.47
SLC6A3 Q01959 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.43
ICMT O60725 1/20 0.43
FFAR1 O14842 1/20 0.41
HTR2A P28223 1/20 0.40
ESRRA P11474 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 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
SCHEMBL4179861 0.88 AR (0.64) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4168825 0.84 AR (1.00) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4175005 0.84 AR (0.56) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4182930 0.83 AR (0.62) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4188051 0.81 AR (0.56) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4171609 0.79 AR (0.70) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL8550179 0.79 AR (0.60) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL13875515 0.79 AR (0.57) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4181543 0.78 AR (0.73) ARSLC6A4KCNH2SLC6A3MRGPRX4
SCHEMBL4188134 0.78 AR (0.73) ARSLC6A4KCNH2SLC6A3MRGPRX4

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 3 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 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

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 1/4885SLC6A4 1384/4885KCNH2 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.