SCHEMBL2116514

SCHEMBL2116514

Nc1cc(-c2cccc3ccccc23)c2nc(/C=C/P(=O)(O)O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
ALOX15 P16050 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GPR84 Q9NQS5 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIM1 P11309 2/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.30
MPO P05164 1/20 0.30
ACP3 P15309 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL2116604 0.87 ALDH1A1 (0.37) ALOX15ALDH1A1TP53CYP1A2CYP2C9
SCHEMBL2116602 0.87 ALDH1A1 (0.37) ALOX15ALDH1A1TP53CYP1A2CYP2C9
SCHEMBL2118468 0.83 FDPS (0.41) FDPSALDH1A1MEN1KMT2AMAPT
SCHEMBL2118465 0.83 FDPS (0.41) FDPSALDH1A1MEN1KMT2AMAPT
SCHEMBL2118203 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2118208 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2118470 0.83 FDPS (0.35) FDPSMEN1KMT2AALOX5NPC1
SCHEMBL2118631 0.82 KLK7 (0.46) ALOX15ALDH1A1MEN1KMT2AMAPT
SCHEMBL2118629 0.82 KLK7 (0.46) ALOX15ALDH1A1MEN1KMT2AMAPT
SCHEMBL2120508 0.81 KEAP1 (0.36) ALDH1A1TP53CYP1A2CYP2C9CYP2C19

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 10 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 claimed
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
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
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 1/4885ALOX15 1414/4885ALDH1A1 1398/4885

“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.