SCHEMBL4863103

SCHEMBL4863103

COCOc1ccc(NC(=O)N2CCCCc3cc(OCc4ccccc4)ccc32)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
TP53 P04637 5/20 0.47
LMNA P02545 5/20 0.47
AVPR2 P30518 1/20 0.46
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4870685 0.91 PDK1 (0.49) PDK1PDK2PDK3PDK4TP53
SCHEMBL4867003 0.89 TP53 (0.51) TP53LMNAAVPR2MAPTTHRB
SCHEMBL4861778 0.85 PDK1 (0.51) PDK1PDK2PDK3PDK4TP53
SCHEMBL4869342 0.85 PDK1 (0.60) PDK1PDK2PDK3PDK4TP53
SCHEMBL4870653 0.84 PDK1 (0.61) PDK1PDK2PDK3PDK4TP53
SCHEMBL4860848 0.83 MAPT (0.61) PDK1PDK2PDK3PDK4TP53
SCHEMBL4864989 0.83 TP53 (0.56) PDK1PDK2PDK3PDK4TP53
SCHEMBL4870127 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4TP53
SCHEMBL4863814 0.81 PDK1 (0.56) PDK1PDK2PDK3PDK4TP53
SCHEMBL4867036 0.78 PDK1 (0.53) PDK1PDK2PDK3PDK4TP53

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 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.