SCHEMBL2116560

SCHEMBL2116560

CCOC(=O)c1ccc2cc(-c3cccs3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
FDPS P14324 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
KEAP1 Q14145 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2118764 0.85 FDPS (0.46) KMT2AKDM4EFDPSALDH1A1PSMB5
SCHEMBL2115917 0.85 KMT2A (0.44) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2119059 0.84 FDPS (0.45) KMT2AKDM4EFDPSALDH1A1PSMB5
Lithium SCHEMBL2119069 0.84 FDPS (0.45) KMT2AKDM4EFDPSALDH1A1PSMB5
Lithium Ion SCHEMBL2119062 0.83 PIM1 (0.39) KMT2AKDM4EL3MBTL1FDPSALDH1A1
SCHEMBL2116292 0.81 KDM4E (0.37) KMT2AKDM4EL3MBTL1FDPSALDH1A1
SCHEMBL2117118 0.81 KMT2A (0.50) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2116635 0.81 FDPS (0.53) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2117824 0.77 ALDH1A1 (0.48) KMT2AKDM4EL3MBTL1MAPK1FDPS
SCHEMBL2116012 0.76 PIM1 (0.39) KMT2AKDM4EL3MBTL1ALDH1A1CYP1A2

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 1 patent. 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

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 KMT2A 3963/4885KDM4E 2805/4885L3MBTL1 3236/4885

“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.