SCHEMBL4870698

SCHEMBL4870698

COCOc1ccc(NC(=O)N2CCCCc3cc(O)ccc32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
THRB P10828 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4870675 0.89 MAPT (0.57) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4870685 0.87 PDK1 (0.49) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4868270 0.83 PDK1 (0.44) TP53LMNAMAPTKDM4EMEN1
SCHEMBL4869649 0.82 PDK1 (0.48) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4867003 0.80 TP53 (0.51) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4867986 0.79 MAPT (0.51) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4871843 0.79 TP53 (0.62) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4869687 0.79 PDK1 (0.53) TP53ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4863578 0.79 TP53 (0.54) TP53ALDH1A1LMNAMAPTMEN1
SCHEMBL4870695 0.78 MAPT (0.52) TP53ALDH1A1LMNAMAPTKDM4E

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 4170/4885ALDH1A1 3990/4885MAPK1 2006/4885

“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.