SCHEMBL2117083

SCHEMBL2117083

CCC(C)OP(=O)(O)C=Cc1ccc2cc(NC(=O)OC)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
FDPS P14324 1/20 0.33
FNTA P49354 7/20 0.33
PGGT1B P53609 7/20 0.33
FNTB P49356 5/20 0.33
NQO2 P16083 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NTSR1 P30989 1/20 0.32
KMT2A Q03164 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KLK7 P49862 1/20 0.31
CMA1 P23946 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL2116253 0.93 KLK7 (0.38) DHODHFDPSFNTAPGGT1BFNTB
SCHEMBL2120069 0.87 SMN1; SMN2 (0.42) TDP1KMT2AMEN1LMNAHTT
SCHEMBL2118376 0.86 KLK7 (0.37) FDPSNQO2MTNR1AMTNR1BKMT2A
SCHEMBL2118373 0.86 KLK7 (0.37) FDPSNQO2MTNR1AMTNR1BKMT2A
SCHEMBL2116634 0.86 NPC1 (0.34) DHODHTDP1NTSR1KMT2AMEN1
SCHEMBL2118470 0.85 FDPS (0.35) DHODHFDPSNTSR1KMT2AMEN1
SCHEMBL2115916 0.85 KDM4E (0.34) FNTAPGGT1BFNTBHDAC8HTT
SCHEMBL2117080 0.84 FDPS (0.39) FDPSNQO2MTNR1AMTNR1BKMT2A
SCHEMBL2117077 0.84 FDPS (0.39) FDPSNQO2MTNR1AMTNR1BKMT2A
SCHEMBL2117450 0.83 KMT2A (0.37) KMT2AMEN1LMNAKDM4EL3MBTL1

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 DHODH 26/4885FDPS 1/4885FNTA 6/4885

“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.