SCHEMBL4863677

SCHEMBL4863677

Nc1ccc(NC(=O)N2CCCCc3cc(O)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.53
PDK2 Q15119 2/20 0.53
PDK3 Q15120 2/20 0.53
PDK4 Q16654 2/20 0.53
THRB P10828 3/20 0.50
MAPT P10636 3/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AVPR2 P30518 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4870827 0.93 PDK1 (0.56) PDK1PDK2PDK3PDK4THRB
SCHEMBL4870695 0.92 MAPT (0.52) PDK1PDK2PDK3PDK4THRB
SCHEMBL4869687 0.88 PDK1 (0.53) PDK1PDK2PDK3PDK4THRB
SCHEMBL4866075 0.88 TP53 (0.59) THRBMAPTTP53LMNAMEN1
SCHEMBL4862614 0.87 TP53 (0.63) THRBMAPTTP53LMNAMEN1
SCHEMBL4869665 0.87 HDAC1 (0.49) PDK1PDK2PDK3PDK4THRB
SCHEMBL4867584 0.85 BRD4 (0.52) PDK1PDK2PDK3PDK4THRB
SCHEMBL4869061 0.85 MAPT (0.63) PDK1PDK2PDK3PDK4THRB
SCHEMBL4869045 0.84 TP53 (0.58) THRBMAPTTP53LMNAMEN1
SCHEMBL4870658 0.84 MAPT (0.67) THRBMAPTTP53LMNAMEN1

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.