SCHEMBL4171609

SCHEMBL4171609

Cc1cccc(Oc2ccc(C#N)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.70
L3MBTL1 Q9Y468 1/20 0.51
TBXA2R P21731 3/20 0.51
CYP19A1 P11511 1/20 0.48
KCNH2 Q12809 3/20 0.47
SLC6A4 P31645 2/20 0.47
HTR2A P28223 2/20 0.47
ICMT O60725 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SLC6A3 Q01959 1/20 0.45
FFAR1 O14842 1/20 0.45
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB3 P21860 1/20 0.43
ERBB4 Q15303 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL8550179 0.89 AR (0.60) ARCYP19A1KCNH2SLC6A4HTR2A
SCHEMBL13890479 0.85 L3MBTL1 (0.51) ARL3MBTL1TBXA2RKCNH2SLC6A4
SCHEMBL10088434 0.83 AR (0.65) ARCYP19A1KCNH2SLC6A4HTR2A
SCHEMBL11088375 0.82 AR (0.54) ARTBXA2RCYP19A1KCNH2SLC6A4
SCHEMBL13875516 0.81 AR (0.62) ARKCNH2SLC6A4HTR2ASLC6A3
SCHEMBL12879326 0.80 L3MBTL1 (0.71) ARL3MBTL1TBXA2RKCNH2SLC6A4
SCHEMBL921045 0.79 AR (0.65) ARL3MBTL1TBXA2RSLC6A4ALDH1A1
SCHEMBL4168829 0.79 MRGPRX4 (0.50) ARCYP19A1KCNH2SLC6A4HTR2A
SCHEMBL4181543 0.79 AR (0.73) ARKCNH2SLC6A4HTR2AICMT
SCHEMBL4181001 0.79 AR (0.73) ARL3MBTL1CYP19A1KCNH2SLC6A4

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-20090105349-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2009-04-23 US 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
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 1/4885L3MBTL1 4790/4885TBXA2R 507/4885

“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.