SCHEMBL2116385

SCHEMBL2116385

CCOP(=O)(OCC)c1ccc2cc(-c3cccc(O)c3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
GLA P06280 4/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
SLC6A9 P48067 1/20 0.37
PIK3CA P42336 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2117838 0.85 ALDH1A1 (0.40) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2117676 0.84 HSD17B1 (0.43) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL2117641 0.83 KDM4E (0.37) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2116390 0.82 PIK3CA (0.35) FDPSALDH1A1HPGDMAPTHTT
SCHEMBL2143565 0.82 KDM4E (0.41) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2116910 0.82 KDM4E (0.46) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2116713 0.82 KDM4E (0.37) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2116292 0.82 KDM4E (0.37) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2115840 0.81 KDM4E (0.41) FDPSKDM4EALDH1A1GLAGAA
SCHEMBL2117119 0.81 FDPS (0.44) FDPSKDM4EALDH1A1GLAGAA

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 FDPS 1/4885KDM4E 2805/4885ALDH1A1 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.