SCHEMBL2118724

SCHEMBL2118724

CCOP(=O)(O)c1ccc2cc([N+](=O)[O-])cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
FDPS P14324 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP6 P55212 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 2/20 0.35
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2115923 0.90 KDM4E (0.40) MAPTKDM4EFDPSNPC1RAB9A
SCHEMBL2115926 0.87 MAPT (0.38) MAPTKDM4EFDPSNPC1RAB9A
SCHEMBL2143559 0.85 MAPT (0.43) MAPTKDM4ENPC1RAB9ATDP1
SCHEMBL2116328 0.80 KDM4E (0.37) MAPTKDM4EFDPSNPC1RAB9A
SCHEMBL2117449 0.80 MAPT (0.37) MAPTKDM4EFDPSNPC1RAB9A
SCHEMBL2117443 0.80 MAPT (0.37) MAPTKDM4EFDPSNPC1RAB9A
SCHEMBL2120566 0.76 MAPT (0.40) MAPTKDM4ENPC1RAB9ATDP1
SCHEMBL2118208 0.75 MEN1 (0.42) MAPTKDM4ENPC1RAB9ATDP1
SCHEMBL2118203 0.75 MEN1 (0.42) MAPTKDM4ENPC1RAB9ATDP1
SCHEMBL2117450 0.74 KMT2A (0.37) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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
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 MAPT 4083/4885KDM4E 2805/4885FDPS 1/4885

“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.