SCHEMBL2117610

SCHEMBL2117610

Cc1cccc2c(-c3cccc4ccc(C(=O)O)nc34)cccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 2/20 0.54
MMP2 P08253 4/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
FDPS P14324 1/20 0.45
MGAM O43451 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
AR P10275 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PIM1 P11309 1/20 0.39

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
SCHEMBL2117716 0.86 KDM4E (0.58) KDM4EKMT2AMMP2TDP1FDPS
SCHEMBL2116806 0.85 PTGER4 (0.45) KDM4EKMT2AMAPTRAB9AFDPS
SCHEMBL1424052 0.82 KDM4E (0.66) KDM4EKMT2AMMP2TDP1MAPT
SCHEMBL2119160 0.82 KDM4E (0.54) KDM4EKMT2AMMP2TDP1FDPS
SCHEMBL2120585 0.81 KDM4E (0.53) KDM4EKMT2AMMP2TDP1FDPS
SCHEMBL27801397 0.79 SMN1; SMN2 (0.41) KDM4EKMT2ATDP1MAPTAR
SCHEMBL27801395 0.77 GSK3B (0.39) KDM4EKMT2AMAPTRAB9ATSHR
SCHEMBL9907329 0.76 KDM4E (0.62) KDM4EKMT2AMMP2TDP1MGAM
SCHEMBL7036195 0.74 KDM4E (0.62) KDM4EKMT2AMMP2TDP1MAPT
Benzene SCHEMBL27872024 0.73 KDM4E (0.70) KDM4EKMT2AMMP2TDP1MAPT

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 KDM4E 2805/4885KMT2A 3963/4885MMP2 4604/4885

“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.