SCHEMBL2117450

SCHEMBL2117450

CCC(C)OP(=O)(O)C=Cc1ccc2cc([N+](=O)[O-])cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.37
MEN1 O00255 11/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LCK P06239 1/20 0.36
MAPT P10636 8/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 5/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX5 P09917 2/20 0.32
PTGES O14684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TNF P01375 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL2116634 0.87 NPC1 (0.34) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2118470 0.86 FDPS (0.35) KMT2AMEN1NPC1RAB9AALOX5
SCHEMBL2118203 0.84 MEN1 (0.42) KMT2AMEN1NPC1RAB9ALCK
SCHEMBL2118208 0.84 MEN1 (0.42) KMT2AMEN1NPC1RAB9ALCK
SCHEMBL2115926 0.84 MAPT (0.38) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2116253 0.83 KLK7 (0.38) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL2117083 0.83 DHODH (0.34) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL2117443 0.83 MAPT (0.37) KMT2AMEN1NPC1RAB9ALCK
SCHEMBL2117449 0.83 MAPT (0.37) KMT2AMEN1NPC1RAB9ALCK
SCHEMBL2116331 0.80 MAPT (0.36) KMT2AMEN1NPC1RAB9AMAPT

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 KMT2A 3963/4885MEN1 491/4885NPC1 236/4885

“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.