SCHEMBL847642

SCHEMBL847642

C#Cc1cc(-c2cccnc2OCc2ccccc2)cc(C(C)(C)C)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
NAAA Q02083 1/20 0.34
ALOX5AP P20292 1/20 0.34
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
SQOR Q9Y6N5 1/20 0.33
CNR1 P21554 1/20 0.33
P2RY1 P47900 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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 0.85 TLR8 (0.41) RORCNAAAALOX5APMGAMGAA
SCHEMBL1542393 0.84 ALOX5AP (0.40) RORCALOX5APMGAMGAASI
SCHEMBL847246 0.82 TDP1 (0.38) RORCCNR1P2RY1HCRTR1HCRTR2
SCHEMBL846684 0.82 ERN1 (0.47) RORCALOX5APMGAMGAASI
SCHEMBL12678917 0.82 ERN1 (0.38) RORCNAAAALOX5APMGAMGAA
SCHEMBL1542307 0.81 ERN1 (0.37) RORCNAAAALOX5APMGAMGAA
SCHEMBL3187209 0.80 IKBKB (0.46) RORCCNR1HCRTR1HCRTR2FFAR4
SCHEMBL12678912 0.78 CYP3A4 (0.36) RORCFEN1P2RY1FFAR4KDM4E
SCHEMBL1542226 0.77 CYP3A4 (0.41) RORCFFAR4
SCHEMBL12678910 0.76 ERN1 (0.34) RORCALOX5APMGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B RORC 752/4885NAAA 1250/4885ALOX5AP 3473/4885

“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.