SCHEMBL4871341

SCHEMBL4871341

O=C(NCc1ccc(O)cc1)N1CCCCc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
LMNA P02545 6/20 0.47
TP53 P04637 4/20 0.47
NOTUM Q6P988 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
AVPR2 P30518 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4867337 0.94 LMNA (0.53) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL4871155 0.93 PDK1 (0.51) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4860748 0.91 TP53 (0.55) HDAC1HDAC6LMNATP53MEN1
SCHEMBL4871323 0.91 HDAC1 (0.48) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL4871152 0.85 TP53 (0.56) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4870759 0.85 PDK1 (0.51) PDK1PDK2PDK3PDK4LMNA
SCHEMBL4866093 0.84 HDAC1 (0.51) HDAC1HDAC6LMNATP53MEN1
SCHEMBL4865684 0.83 PDK1 (0.56) PDK1PDK2PDK3PDK4HDAC1
SCHEMBL4868734 0.83 TP53 (0.62) LMNATP53POLBMAPTAVPR2
SCHEMBL4869441 0.82 TP53 (0.61) LMNATP53MEN1KMT2ANPC1

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 4 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 claimed
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 PDK1 2625/4885PDK2 1400/4885PDK3 2325/4885

“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.