SCHEMBL4864989

SCHEMBL4864989

COCOc1ccc(NC(=O)N2CCCCc3cc(OCc4ccccc4)ccc32)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 2/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.45
ALOX12 P18054 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4861778 0.90 PDK1 (0.51) TP53LMNAMAPTSMN1; SMN2GAA
SCHEMBL4870127 0.90 PDK1 (0.51) TP53LMNAMAPTSMN1; SMN2GAA
SCHEMBL4863578 0.88 TP53 (0.54) TP53LMNAMAPTPDK1PDK2
SCHEMBL4871393 0.88 TP53 (0.67) TP53LMNAMAPTMEN1KMT2A
SCHEMBL4863103 0.83 PDK1 (0.49) TP53LMNAMAPTSMN1; SMN2PDK1
SCHEMBL4870685 0.82 PDK1 (0.49) TP53LMNAMAPTPDK1PDK2
SCHEMBL4870653 0.81 PDK1 (0.61) TP53LMNAMAPTSMN1; SMN2PDK1
SCHEMBL4860848 0.81 MAPT (0.61) TP53LMNAMAPTSMN1; SMN2PDK1
SCHEMBL4866010 0.81 HSD17B10 (0.51) TP53LMNAMAPTPDK1PDK2
SCHEMBL4869342 0.80 PDK1 (0.60) TP53LMNAMAPTPDK1PDK2

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 4170/4885LMNA 2162/4885MAPT 3398/4885

“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.