SCHEMBL2117080

SCHEMBL2117080

CCOP(=O)(C=Cc1ccc2cc(NC(=O)OC)cc(-c3cccc4ccccc34)c2n1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NQO2 P16083 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KLK7 P49862 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PTGS2 P35354 9/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2117077 1.00 FDPS (0.39) FDPSLMNAHPGDKDM4ENQO2
SCHEMBL2116249 0.92 KLK7 (0.41) FDPSLMNAHPGDKDM4EMAPT
SCHEMBL2116251 0.92 KLK7 (0.41) FDPSLMNAHPGDKDM4EMAPT
SCHEMBL2118376 0.88 KLK7 (0.37) FDPSLMNAHPGDKDM4ENQO2
SCHEMBL2118373 0.88 KLK7 (0.37) FDPSLMNAHPGDKDM4ENQO2
SCHEMBL2120067 0.86 ALDH1A1 (0.45) LMNAKDM4EMAPTTP53ALDH1A1
SCHEMBL2120064 0.86 ALDH1A1 (0.45) LMNAKDM4EMAPTTP53ALDH1A1
SCHEMBL2118105 0.85 LMNA (0.37) FDPSLMNAHPGDKDM4EMAPT
SCHEMBL2118110 0.85 LMNA (0.37) FDPSLMNAHPGDKDM4EMAPT
SCHEMBL2117083 0.84 DHODH (0.34) FDPSLMNAKDM4ENQO2MTNR1A

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 FDPS 1/4885LMNA 1934/4885HPGD 224/4885

“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.