SCHEMBL805000

SCHEMBL805000

COc1nc2cc(C(F)(F)F)ccc2nc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
BACE1 P56817 1/20 0.40
MAT2A P31153 2/20 0.39
DHFR P00374 6/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
GAK O14976 1/20 0.36
PDE2A O00408 2/20 0.36
PDE10A Q9Y233 1/20 0.36
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1D Q01668 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
SCHEMBL789144 0.87 KDM4E (0.45) KDM4EBACE1DHFRSCN10APDE2A
SCHEMBL788374 0.87 KDM4E (0.45) KDM4EBACE1DHFRSCN10APDE2A
SCHEMBL10111749 0.80 KDM4E (0.50) KDM4EBACE1MAT2ADHFRGAK
SCHEMBL10111725 0.80 KDM4E (0.50) KDM4EBACE1MAT2ADHFRGAK
SCHEMBL18684816 0.80 KDM4E (0.42) KDM4EBACE1RAB9A
SCHEMBL21097528 0.78 NQO2 (0.47) KDM4EBACE1RAB9AL3MBTL1
SCHEMBL20047578 0.78 RAB9A (0.38) KDM4ESCN10ARAB9A
SCHEMBL8024194 0.76 NQO2 (0.44) KDM4ERAB9AL3MBTL1
SCHEMBL804996 0.73 KDM4E (0.46) KDM4EBACE1DHFRSCN10AGAK
SCHEMBL805106 0.73 KDM4E (0.46) KDM4EBACE1DHFRSCN10AGAK

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-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885BACE1 553/4885MAT2A 1040/4885

“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.