SCHEMBL1542393

SCHEMBL1542393

COc1c(N)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.39
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
RORC P51449 2/20 0.37
TSHR P16473 1/20 0.36
SCN9A Q15858 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TLR8 Q9NR97 1/20 0.35
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
NPC1 O15118 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
SCHEMBL12678826 0.88 TLR8 (0.41) ALOX5APFEN1RORCTSHRATP4A
SCHEMBL1542276 0.86 ALOX5AP (0.43) ALOX5APFEN1SCN9AMAPTCASP1
SCHEMBL3187209 0.85 IKBKB (0.46) RORCCNR1CNR2
SCHEMBL846684 0.84 ERN1 (0.47) ALOX5APFEN1RORCMGAMGAA
SCHEMBL12678917 0.84 ERN1 (0.38) ALOX5APFEN1RORCTSHRMGAM
SCHEMBL847642 0.84 RORC (0.35) ALOX5APFEN1RORCTSHRMGAM
SCHEMBL1542307 0.83 ERN1 (0.37) ALOX5APFEN1RORCMGAMGAA
SCHEMBL12678912 0.80 CYP3A4 (0.36) FEN1RORC
SCHEMBL12678910 0.79 ERN1 (0.34) ALOX5APFEN1RORCMGAMGAA
SCHEMBL1542613 0.79 SCN5A (0.40) RORCSCN9ACYP11B1CYP11B2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ALOX5AP 3584/4885FEN1 2337/4885LTA4H 3116/4885

“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.