SCHEMBL2116251

SCHEMBL2116251

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.41
FDPS P14324 1/20 0.38
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 3/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ESRRA P11474 1/20 0.34
PTGS2 P35354 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2116249 1.00 KLK7 (0.41) KLK7FDPSLMNAKDM4EHPGD
SCHEMBL2117077 0.92 FDPS (0.39) KLK7FDPSLMNAKDM4EHPGD
SCHEMBL2117080 0.92 FDPS (0.39) KLK7FDPSLMNAKDM4EHPGD
SCHEMBL2118631 0.87 KLK7 (0.46) KLK7KDM4EMAPTKMT2AMEN1
SCHEMBL2118629 0.87 KLK7 (0.46) KLK7KDM4EMAPTKMT2AMEN1
SCHEMBL2120067 0.87 ALDH1A1 (0.45) LMNAKDM4EMAPTKMT2AMEN1
SCHEMBL2120064 0.87 ALDH1A1 (0.45) LMNAKDM4EMAPTKMT2AMEN1
SCHEMBL2118110 0.85 LMNA (0.37) FDPSLMNAKDM4EHPGDMAPT
SCHEMBL2118105 0.85 LMNA (0.37) FDPSLMNAKDM4EHPGDMAPT
SCHEMBL2116629 0.84 KDM4E (0.43) FDPSLMNAKDM4EHPGDMAPT

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 KLK7 4439/4885FDPS 1/4885LMNA 1934/4885

“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.