SCHEMBL4866010

SCHEMBL4866010

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
NOTUM Q6P988 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL4867674 0.89 MEN1 (0.56) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL4861778 0.89 PDK1 (0.51) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL4870691 0.86 PDK1 (0.58) HSD17B10LMNATP53NOTUMMEN1
SCHEMBL4863578 0.83 TP53 (0.54) HSD17B10LMNATP53MEN1KMT2A
SCHEMBL4867003 0.83 TP53 (0.51) HSD17B10LMNATP53MEN1KMT2A
SCHEMBL4868270 0.82 PDK1 (0.44) HSD17B10LMNATP53MEN1KMT2A
SCHEMBL4864989 0.81 TP53 (0.56) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL4867692 0.80 MEN1 (0.54) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL4871393 0.80 TP53 (0.67) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL4870127 0.80 PDK1 (0.51) LMNATP53MEN1KMT2AALDH1A1

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 HSD17B10 1075/4885LMNA 2162/4885TP53 4170/4885

“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.