SCHEMBL2116282

SCHEMBL2116282

COC(=O)c1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.50
FDPS P14324 1/20 0.46
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCEH1 Q6PIU2 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL2116806 0.89 PTGER4 (0.45) PTGER4FDPSALDH1A1KDM4EMAPT
SCHEMBL2116288 0.88 PTGER4 (0.44) PTGER4FDPSALDH1A1KDM4EMAPT
SCHEMBL2115826 0.87 PTGER4 (0.46) PTGER4FDPSKDM4EHDAC8
SCHEMBL9907327 0.84 PDCD1 (0.45) PTGER4ALDH1A1KDM4EHPGDSLC6A2
SCHEMBL2117716 0.82 KDM4E (0.58) FDPSALDH1A1KDM4EHPGDTDP1
SCHEMBL2116608 0.81 PTGER4 (0.42) PTGER4FDPSALDH1A1KDM4EGAA
SCHEMBL13689608 0.81 PIM1 (0.59) FDPSALDH1A1KDM4EGAAHPGD
SCHEMBL2117639 0.80 MAPT (0.49) FDPSALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL4995737 0.78 MAPK1 (0.50) PTGER4L3MBTL1KDM4EMAPTNPC1
SCHEMBL23714070 0.77 CYP1A2 (0.47) PTGER4ALDH1A1L3MBTL1KDM4EMAPT

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 PTGER4 2253/4885FDPS 1/4885ALDH1A1 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.