SCHEMBL4173770

SCHEMBL4173770

N#Cc1ccccc1Oc1cccc(C#N)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
PIN1 Q13526 2/20 0.43
AR P10275 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAP4K4 O95819 1/20 0.38
TSHR P16473 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB3 P21860 1/20 0.38
ERBB4 Q15303 1/20 0.38
MAPK14 Q16539 1/20 0.38
GCK P35557 1/20 0.37
LMNA P02545 1/20 0.37
ADRB2 P07550 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL5498981 0.86 AR (0.50) GAAPOLBPIN1ARSMN1; SMN2
SCHEMBL7054403 0.85 GAA (0.64) GAAPOLBPIN1ARSMN1; SMN2
SCHEMBL8431375 0.83 GAA (0.62) GAAPOLBPIN1ARSMN1; SMN2
SCHEMBL4168817 0.79 POLB (0.50) GAAPOLBARSMN1; SMN2PDE4A
SCHEMBL5507928 0.79 POLB (0.50) GAAPOLBPIN1ARSMN1; SMN2
SCHEMBL2336325 0.78 POLB (0.49) GAAPOLBARSMN1; SMN2SLC22A12
SCHEMBL29608612 0.78 POLB (0.49) GAAPOLBARSMN1; SMN2SLC22A12
SCHEMBL3237062 0.76 TSHR (0.46) ARTSHR
SCHEMBL641798 0.76 POLB (0.69) GAAPOLBARSMN1; SMN2PDE4A
SCHEMBL1329540 0.75 GCK (0.48) GAAPOLBPIN1MAP4K4EGFR

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 6 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
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 GAA 4493/4885POLB 2022/4885PIN1 1691/4885

“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.