SCHEMBL804996

SCHEMBL804996

Cc1nc2ccc(C(F)(F)F)cc2nc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
SCN10A Q9Y5Y9 1/20 0.36
BACE1 P56817 1/20 0.36
NPBWR1 P48145 1/20 0.36
PDE2A O00408 6/20 0.36
PDE10A Q9Y233 6/20 0.36
GAK O14976 1/20 0.36
DHFR P00374 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
PDE7A Q13946 1/20 0.35
RORC P51449 2/20 0.35
EPHX2 P34913 1/20 0.35
SCN4A P35499 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
SCHEMBL805106 1.00 KDM4E (0.46) KDM4ESCN10ABACE1NPBWR1PDE2A
SCHEMBL789144 0.84 KDM4E (0.45) KDM4ESCN10ABACE1PDE2ADHFR
SCHEMBL788374 0.84 KDM4E (0.45) KDM4ESCN10ABACE1PDE2ADHFR
SCHEMBL10111749 0.83 KDM4E (0.50) KDM4EBACE1NPBWR1PDE2APDE10A
SCHEMBL10111725 0.83 KDM4E (0.50) KDM4EBACE1NPBWR1PDE2APDE10A
SCHEMBL20248267 0.82 DHFR (0.44) KDM4EDHFR
SCHEMBL20248263 0.82 DHFR (0.44) KDM4EDHFR
SCHEMBL22369922 0.82 KDM4E (0.43) KDM4ESCN10ABACE1NPBWR1GAK
SCHEMBL805013 0.80 KDM4E (0.42) KDM4EPDE10ATSHR
SCHEMBL10111820 0.80 SCN10A (0.40) SCN10APDE2APDE10ADHFRPDE7A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
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 (2 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 1290/4885SCN10A 3186/4885BACE1 553/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885SCN10A 3186/4885BACE1 553/4885

“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.