SCHEMBL846684

SCHEMBL846684

COc1c(C=O)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.47
RORC P51449 2/20 0.37
CYP3A4 P08684 1/20 0.35
ALOX5AP P20292 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TUBB1 Q9H4B7 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TLR8 Q9NR97 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL12678917 0.90 ERN1 (0.38) ERN1RORCCYP3A4ALOX5APFFAR4
SCHEMBL1542893 0.87 ERN1 (0.42) ERN1CYP3A4ALOX5APFFAR4FEN1
SCHEMBL1542307 0.87 ERN1 (0.37) ERN1RORCCYP3A4ALOX5APFFAR4
SCHEMBL2128477 0.87 ERN1 (0.44) ERN1CYP3A4ALOX5APMGAMGAA
SCHEMBL12678912 0.85 CYP3A4 (0.36) ERN1RORCCYP3A4FFAR4FEN1
SCHEMBL12678826 0.85 TLR8 (0.41) ERN1RORCALOX5APMGAMGAA
SCHEMBL13071658 0.84 ERN1 (0.38) ERN1CYP3A4FFAR4
SCHEMBL1542393 0.84 ALOX5AP (0.40) RORCALOX5APMGAMGAASI
SCHEMBL12678910 0.84 ERN1 (0.34) ERN1RORCCYP3A4ALOX5APMGAM
SCHEMBL12678914 0.84 TDP1 (0.38) ERN1RORCCYP3A4

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 6 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-2432554-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-03-28 EP disclosed
WO-2010133528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-25 WO disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US disclosed
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 US 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 (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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B ERN1 147/4885RORC 752/4885CYP3A4 302/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B ERN1 140/4885RORC 791/4885CYP3A4 528/4885

“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.