SCHEMBL442851

SCHEMBL442851

O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(F)c2)c1.O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCC(F)(F)F)c(-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.46
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CTSA P10619 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
CNR2 P34972 4/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.36
GABRA5 P31644 1/20 0.35
MPL P40238 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
SCHEMBL411604 0.97 CNR1 (0.48) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL411157 0.97 CNR1 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL410666 0.91 CNR1 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL410646 0.90 CNR1 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL411092 0.89 CNR1 (0.55) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL410672 0.88 ABL1 (0.43) CNR1CTSAMAPTTP53CNR2
SCHEMBL412421 0.88 MAPT (0.49) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL412098 0.85 CNR1 (0.45) CNR1SCN5ACNR2
SCHEMBL412086 0.85 EPHX2 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL410652 0.83 MAPT (0.46) CNR1KCNH2SCN5ASCN2ASCN10A

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-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed

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-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885KCNH2 3316/4885SCN5A 3451/4885

“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.