SCHEMBL4871152

SCHEMBL4871152

O=C(NCc1ccccc1)N1CCCCc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
LMNA P02545 5/20 0.48
THRB P10828 2/20 0.48
MAPT P10636 3/20 0.47
AVPR2 P30518 2/20 0.46
IDO1 P14902 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4871155 0.89 PDK1 (0.51) TP53PDK1PDK2PDK3PDK4
SCHEMBL4860748 0.87 TP53 (0.55) TP53LMNATHRBMAPTAVPR2
SCHEMBL4868734 0.86 TP53 (0.62) TP53LMNATHRBMAPTAVPR2
SCHEMBL4865168 0.86 TP53 (0.71) TP53LMNATHRBMAPTAVPR2
SCHEMBL4862299 0.85 PDK1 (0.60) TP53PDK1PDK2PDK3PDK4
SCHEMBL4871341 0.85 PDK1 (0.54) TP53PDK1PDK2PDK3PDK4
SCHEMBL3627751 0.82 NR1H3 (0.55) TP53LMNATHRBMAPT
SCHEMBL4866075 0.81 TP53 (0.59) TP53LMNATHRBMAPTALDH1A1
SCHEMBL4869012 0.81 PDK1 (0.55) TP53PDK1PDK2PDK3PDK4
SCHEMBL4870759 0.81 PDK1 (0.51) TP53PDK1PDK2PDK3PDK4

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 TP53 4170/4885PDK1 2625/4885PDK2 1400/4885

“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.