SCHEMBL2117701

SCHEMBL2117701

CCOC(=O)c1ccc2c(OCC)c(N)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.81
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 5/20 0.40
CDC25B P30305 1/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
GABRP O00591 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
SCHEMBL2116010 0.90 FDPS (1.00) FDPSKMT2ANPC1RAB9AKDM4E
SCHEMBL2118592 0.88 FDPS (0.63) FDPSKMT2ANPC1RAB9ACYP1A2
SCHEMBL2116635 0.81 FDPS (0.53) FDPSKMT2ANPC1RAB9ACYP1A2
SCHEMBL2118352 0.77 FDPS (0.77) FDPSKMT2ANPC1RAB9AKDM4E
SCHEMBL2117118 0.77 KMT2A (0.50) FDPSKMT2ANPC1RAB9ACYP1A2
SCHEMBL2120918 0.76 FDPS (0.76) FDPSKMT2ANPC1RAB9AKDM4E
Lithium SCHEMBL2120926 0.76 FDPS (0.76) FDPSKMT2ANPC1RAB9AKDM4E
Lithium Ion SCHEMBL2120920 0.76 FDPS (0.63) FDPSKMT2ANPC1RAB9AMAPK1
SCHEMBL2117824 0.73 ALDH1A1 (0.48) FDPSKMT2ACYP1A2MAPK1KDM4E
SCHEMBL2115917 0.71 KMT2A (0.44) FDPSKMT2ANPC1RAB9ACYP1A2

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 1/4885KMT2A 3963/4885NPC1 236/4885

“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.