SCHEMBL2116767

SCHEMBL2116767

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
FDPS P14324 1/20 0.32
FNTA P49354 2/20 0.31
PGGT1B P53609 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
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

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) DHODHFDPSFNTAPGGT1BTDP1
SCHEMBL2116896 0.89 FDPS (0.35) DHODHFDPSFNTAPGGT1BTDP1
SCHEMBL2116331 0.86 MAPT (0.36) DHODHMAPTKDM4EALDH1A1LMNA
SCHEMBL2116272 0.84 PDE10A (0.37) FNTAPGGT1BMAPTKDM4EALDH1A1
SCHEMBL2119256 0.84 ACP3 (0.35) FDPSMAPTKDM4EMEN1KMT2A
SCHEMBL2115844 0.82 FDPS (0.34) DHODHFDPSPPARGPPARAKDM4E
SCHEMBL2118421 0.82 NTSR1 (0.30)
SCHEMBL2116764 0.81 KDM4E (0.38) FDPSTDP1MAPTKDM4EALDH1A1
SCHEMBL2120455 0.75 FDPS (0.38) DHODHFDPSPPARGPPARAMTNR1A
SCHEMBL2116250 0.73 PPARG (0.35) DHODHFDPSPPARGPPARAMAPT

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.