SCHEMBL2116381

SCHEMBL2116381

CCC(C)OP(=O)(O)CNc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCHR1 Q99705 3/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TACR3 P29371 1/20 0.32
FNTA P49354 2/20 0.32
PGGT1B P53609 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL2116767 0.90 DHODH (0.33) PPARGPPARADHODHKDM4EHPGD
SCHEMBL2116896 0.90 FDPS (0.35) PPARGPPARADHODHKDM4EHPGD
SCHEMBL2116331 0.87 MAPT (0.36) DHODHKDM4EHPGDMAPTALDH1A1
SCHEMBL2116272 0.85 PDE10A (0.37) KDM4EHPGDMAPTALDH1A1L3MBTL1
SCHEMBL2120455 0.84 FDPS (0.38) PPARGPPARADHODHHPGDMAPT
SCHEMBL2118421 0.83 NTSR1 (0.30)
SCHEMBL2116250 0.82 PPARG (0.35) PPARGPPARADHODHKDM4EMAPT
SCHEMBL2118237 0.81 ACP3 (0.40) MAPTMEN1KMT2AGAAFDPS
SCHEMBL2116264 0.80 PPARG (0.34) PPARGPPARADHODHKDM4EHPGD
SCHEMBL2116914 0.80 PPARG (0.37) PPARGPPARADHODHKDM4EHPGD

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 PPARG 1752/4885PPARA 2484/4885DHODH 26/4885

“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.