SCHEMBL6189807

SCHEMBL6189807

CNC(=O)c1ccc(OCCCCBr)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.71
TSHR P16473 2/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.54
TBXAS1 P24557 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
MMP13 P45452 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
MMP1 P03956 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL14969336 0.87 PLK1 (0.81) PLK1TSHRSMN1; SMN2GAAMMP1
SCHEMBL12839873 0.86 PLK1 (0.87) PLK1TSHRHPGDHTTSMN1; SMN2
SCHEMBL14969349 0.85 PLK1 (0.79) PLK1TSHRTP53
SCHEMBL12112441 0.85 PLK1 (0.79) PLK1TSHRTP53
SCHEMBL12113898 0.85 PLK1 (0.79) PLK1TSHRTP53
SCHEMBL18914860 0.85 PLK1 (0.73) PLK1TSHRHPGDHTTSMN1; SMN2
SCHEMBL4751615 0.83 PLK1 (0.75) PLK1TSHRHPGDHTTSMN1; SMN2
SCHEMBL4751488 0.83 PLK1 (0.75) PLK1TSHRHPGDHTTSMN1; SMN2
SCHEMBL11962158 0.83 PLK1 (1.00) PLK1TSHRHPGDHTTSMN1; SMN2
SCHEMBL23484979 0.83 PLK1 (0.74) PLK1TSHRSMN1; SMN2MMP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-01 US disclosed
EP-1541574-A1 TRIAZASPIRO 5.5 UNDECANE DERIVATIVES AND DRUGS COMPRISI NG THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP 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-20050267114-A1 Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient HLA-DRB1, TLR5, HLA-C PLK1 2286/4885TSHR 2682/4885HPGD 2066/4885

“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.