SCHEMBL2116331

SCHEMBL2116331

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX5 P09917 2/20 0.33
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
TNF P01375 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NOD1 Q9Y239 1/20 0.33
CCR3 P51677 1/20 0.32
PTGES O14684 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 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
SCHEMBL2116381 0.87 PPARG (0.34) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL2116767 0.86 DHODH (0.33) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL2116896 0.86 FDPS (0.35) MAPTKDM4EALOX5KMT2AMEN1
SCHEMBL2120566 0.85 MAPT (0.40) MAPTKDM4EALOX5KMT2AMEN1
SCHEMBL2115926 0.84 MAPT (0.38) MAPTKDM4EALOX5KMT2AMEN1
SCHEMBL2116328 0.83 KDM4E (0.37) MAPTKDM4EALOX5KMT2AMEN1
SCHEMBL2116272 0.81 PDE10A (0.37) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL2118421 0.81 NTSR1 (0.30)
SCHEMBL2117450 0.80 KMT2A (0.37) MAPTKDM4EALOX5KMT2AMEN1
SCHEMBL2118724 0.74 MAPT (0.41) MAPTKDM4EALOX5KMT2AMEN1

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 MAPT 4083/4885KDM4E 2805/4885ALOX5 945/4885

“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.