SCHEMBL2118352

SCHEMBL2118352

CCOc1c(I)cc(-c2cccc3ccccc23)c2nc(C(=O)O)ccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.77
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
PIK3CA P42336 1/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SLC6A9 P48067 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 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
SCHEMBL2120918 0.99 FDPS (0.76) FDPSMAPTTP53RXFP1KMT2A
Lithium SCHEMBL2120926 0.99 FDPS (0.76) FDPSMAPTTP53RXFP1KMT2A
Lithium Ion SCHEMBL2120920 0.90 FDPS (0.63) FDPSMAPTTP53RXFP1KMT2A
SCHEMBL2118592 0.90 FDPS (0.63) FDPSMAPTTP53KMT2AMEN1
SCHEMBL2116010 0.87 FDPS (1.00) FDPSMAPTTP53RXFP1KMT2A
SCHEMBL2117701 0.77 FDPS (0.81) FDPSMAPTTP53KMT2AMEN1
SCHEMBL2118893 0.73 FDPS (0.52) FDPSKMT2AMEN1KDM4EALDH1A1
SCHEMBL2116734 0.72 FDPS (0.51) FDPSKMT2AMEN1KDM4EALDH1A1
Lithium SCHEMBL2116737 0.72 FDPS (0.51) FDPSKMT2AMEN1KDM4EALDH1A1
SCHEMBL2119017 0.71 FDPS (0.55) FDPSMAPTKMT2AKDM4EALDH1A1

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 4 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
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

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 1/4885MAPT 4083/4885TP53 837/4885

“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.