SCHEMBL2116500

SCHEMBL2116500

Nc1cc(-c2cccc3ccccc23)c2nc(NCP(=O)(O)O)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.35
ACP3 P15309 3/20 0.35
CMA1 P23946 2/20 0.34
CTSG P08311 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2118237 0.87 ACP3 (0.40) FDPSACP3CMA1CTSGCA12
SCHEMBL2119256 0.87 ACP3 (0.35) FDPSACP3CMA1CTSGCA12
SCHEMBL2116893 0.84 FDPS (0.41) FDPSMEN1ALDH1A1MAPTKMT2A
SCHEMBL2116896 0.84 FDPS (0.35) FDPSMEN1ALDH1A1MAPTKMT2A
SCHEMBL2120566 0.83 MAPT (0.40) ACP3MEN1ALDH1A1MAPTKMT2A
SCHEMBL2117440 0.81 PDE10A (0.41) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL2116613 0.81 ACP3 (0.30) ACP3CMA1HDAC8HDAC6PIM1
SCHEMBL2116619 0.79 FDPS (0.36) FDPSACP3MEN1ALDH1A1MAPT
SCHEMBL2116514 0.74 FDPS (0.34) FDPSACP3MEN1ALDH1A1MAPT
SCHEMBL13689609 0.74 PLAU (0.41) FDPSMEN1ALDH1A1MAPTKMT2A

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 6 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
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

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 1/4885ACP3 556/4885CMA1 3602/4885

“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.