SCHEMBL2116896

SCHEMBL2116896

CCC(C)OP(=O)(O)CNc1ccc2cc(N)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
DHODH Q02127 1/20 0.34
FNTA P49354 3/20 0.32
PGGT1B P53609 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
FNTB P49356 1/20 0.31
MCHR1 Q99705 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL2116381 0.90 PPARG (0.34) FDPSDHODHFNTAPGGT1BTDP1
SCHEMBL2116767 0.89 DHODH (0.33) FDPSDHODHFNTAPGGT1BTDP1
SCHEMBL2116331 0.86 MAPT (0.36) DHODHMAPTKDM4EALDH1A1LMNA
SCHEMBL2116272 0.84 PDE10A (0.37) FNTAPGGT1BFNTBMAPTKDM4E
SCHEMBL2116500 0.84 FDPS (0.35) FDPSMAPTALDH1A1HPGDNPSR1
SCHEMBL2117123 0.82 FDPS (0.38) FDPSDHODHMCHR1PPARGPPARA
SCHEMBL2118421 0.82 NTSR1 (0.30)
SCHEMBL2116893 0.81 FDPS (0.41) FDPSTDP1MAPTKDM4EALDH1A1
SCHEMBL2118470 0.79 FDPS (0.35) FDPSDHODHMCHR1PPARGPPARA
SCHEMBL2120455 0.75 FDPS (0.38) FDPSDHODHPPARGPPARAMAPT

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 1/4885DHODH 26/4885FNTA 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.